methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate

C22H21N7O3 — CID 11553769

IUPACmethyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C22H21N7O3/c1-31-21(30)18-11-19(25-20-10-16(27-28-20)14-7-8-14)26-22(24-18)23-12-15-9-17(29-32-15)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,12H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyNBXISRRXXBEFHB-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.87
Rot. Bonds8

About methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate

methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate (PubChem CID 11553769) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate
PubChem CID11553769
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC Namemethyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1
InChIInChI=1S/C22H21N7O3/c1-31-21(30)18-11-19(25-20-10-16(27-28-20)14-7-8-14)26-22(24-18)23-12-15-9-17(29-32-15)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,12H2,1H3,(H3,23,24,25,26,27,28)
InChIKeyNBXISRRXXBEFHB-UHFFFAOYSA-N
XLogP3.87
TPSA130.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate with MolForge

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl N-[[4-[3-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]methyl]carbamate
CID 70654539
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 11503139
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11503356
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11525394
6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 11531217
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11538287
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-propoxypyrimidine-2,4-diamine
CID 11539260
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-phenyl-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11561456
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11567592
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(dimethylamino)ethoxy]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11590715
2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 11603221
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11605244

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate (CID 11553769) is methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate is COC(=O)c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1.
What is the InChIKey of methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate?
The InChIKey is NBXISRRXXBEFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-31-21(30)18-11-19(25-20-10-16(27-28-20)14-7-8-14)26-22(24-18)23-12-15-9-17(29-32-15)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,12H2,1H3,(H3,23,24,25,26,27,28).
What are the key properties of methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate?
methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate has a molecular weight of 431.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyrimidine-4-carboxylate is sourced from PubChem (CID 11553769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).