6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

C24H36N8O2 — CID 59757960

IUPAC6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCC(C)c1cc(CNc2nc(Nc3cc(C(C)C)[nH]n3)cc(OCCN3CCCCC3)n2)on1
InChIInChI=1S/C24H36N8O2/c1-16(2)19-13-22(30-29-19)26-21-14-23(33-11-10-32-8-6-5-7-9-32)28-24(27-21)25-15-18-12-20(17(3)4)31-34-18/h12-14,16-17H,5-11,15H2,1-4H3,(H3,25,26,27,28,29,30)
InChIKeySYRVFWWRUOJYFW-UHFFFAOYSA-N
MW468.61 g/mol
LogP4.65
Rot. Bonds11

About 6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 59757960) has the molecular formula C24H36N8O2 and a molecular weight of 468.61 g/mol. Its IUPAC name is 6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID59757960
Molecular FormulaC24H36N8O2
Molecular Weight468.61 g/mol
Exact Mass468.30
IUPAC Name6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCC(C)c1cc(CNc2nc(Nc3cc(C(C)C)[nH]n3)cc(OCCN3CCCCC3)n2)on1
InChIInChI=1S/C24H36N8O2/c1-16(2)19-13-22(30-29-19)26-21-14-23(33-11-10-32-8-6-5-7-9-32)28-24(27-21)25-15-18-12-20(17(3)4)31-34-18/h12-14,16-17H,5-11,15H2,1-4H3,(H3,25,26,27,28,29,30)
InChIKeySYRVFWWRUOJYFW-UHFFFAOYSA-N
XLogP4.65
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-(1-methylpyrrolidin-3-yl)oxy-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 59757822
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine
CID 59757794
5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine
CID 67162932
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
6-(4-methylpiperazin-1-yl)-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 59757779
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
5-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 67161025
methane;6-[(3S)-3-methylpiperazin-1-yl]-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 161020140
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-6-N-(2-piperidin-1-ylethyl)pyrimidine-2,4,6-triamine
CID 59757969
4-N-[(3Z)-4-cyclopropyl-4-hydrazinylbuta-1,3-dien-2-yl]-6-[2-(diethylamino)ethoxy]-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 88914541
6-N-[3-(diethylamino)propyl]-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine
CID 59757877
N-methyl-2-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80962688

Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 59757960) is 6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is CC(C)c1cc(CNc2nc(Nc3cc(C(C)C)[nH]n3)cc(OCCN3CCCCC3)n2)on1.
What is the InChIKey of 6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is SYRVFWWRUOJYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N8O2/c1-16(2)19-13-22(30-29-19)26-21-14-23(33-11-10-32-8-6-5-7-9-32)28-24(27-21)25-15-18-12-20(17(3)4)31-34-18/h12-14,16-17H,5-11,15H2,1-4H3,(H3,25,26,27,28,29,30).
What are the key properties of 6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 468.61 g/mol, XLogP of 4.65, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-1-ylethoxy)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 59757960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).