4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane

C25H39N9O — CID 143702177

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane
SMILESCC.CC(C)C1C=C(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CC4CC3CN4C)n2)ON1
InChIInChI=1S/C23H33N9O.C2H6/c1-13(2)18-7-17(33-30-18)10-24-23-26-20(25-21-8-19(28-29-21)14-4-5-14)9-22(27-23)32-12-15-6-16(32)11-31(15)3;1-2/h7-9,13-16,18,30H,4-6,10-12H2,1-3H3,(H3,24,25,26,27,28,29);1-2H3
InChIKeyJEMPGEDLZIUNHY-UHFFFAOYSA-N
MW481.65 g/mol
LogP3.59
Rot. Bonds8

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane (PubChem CID 143702177) has the molecular formula C25H39N9O and a molecular weight of 481.65 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane
PubChem CID143702177
Molecular FormulaC25H39N9O
Molecular Weight481.65 g/mol
Exact Mass481.33
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane
SMILESCC.CC(C)C1C=C(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CC4CC3CN4C)n2)ON1
InChIInChI=1S/C23H33N9O.C2H6/c1-13(2)18-7-17(33-30-18)10-24-23-26-20(25-21-8-19(28-29-21)14-4-5-14)9-22(27-23)32-12-15-6-16(32)11-31(15)3;1-2/h7-9,13-16,18,30H,4-6,10-12H2,1-3H3,(H3,24,25,26,27,28,29);1-2H3
InChIKeyJEMPGEDLZIUNHY-UHFFFAOYSA-N
XLogP3.59
TPSA106.26 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.65
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane with MolForge

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Related Compounds

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 145495852
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-3-yloxypyrimidine-2,4-diamine
CID 71137889
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11588399
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine
CID 71213071
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 59757938
6-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1,4-dimethyl-3-methylidenepyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 143415232
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methylprop-2-enyl)-6-N-(2-piperidin-1-ylethyl)pyrimidine-2,4,6-triamine
CID 143702344
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl]amino]phenyl]acetonitrile
CID 23624249
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
CID 166633570
2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol
CID 69234321
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine
CID 86047710
[5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]methyl]-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 59758000

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane (CID 143702177) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane is CC.CC(C)C1C=C(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CC4CC3CN4C)n2)ON1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane?
The InChIKey is JEMPGEDLZIUNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N9O.C2H6/c1-13(2)18-7-17(33-30-18)10-24-23-26-20(25-21-8-19(28-29-21)14-4-5-14)9-22(27-23)32-12-15-6-16(32)11-31(15)3;1-2/h7-9,13-16,18,30H,4-6,10-12H2,1-3H3,(H3,24,25,26,27,28,29);1-2H3.
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane has a molecular weight of 481.65 g/mol, XLogP of 3.59, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-N-[(3-propan-2-yl-2,3-dihydro-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine;ethane is sourced from PubChem (CID 143702177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).