4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

C23H25N9O2 — CID 59757932

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(CNc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)on2)nc1
InChIInChI=1S/C23H25N9O2/c1-2-6-24-17(3-1)19-11-16(34-31-19)14-25-23-27-20(13-22(28-23)32-7-9-33-10-8-32)26-21-12-18(29-30-21)15-4-5-15/h1-3,6,11-13,15H,4-5,7-10,14H2,(H3,25,26,27,28,29,30)
InChIKeySDWDOHSEWUGWHZ-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.32
Rot. Bonds8

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 59757932) has the molecular formula C23H25N9O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID59757932
Molecular FormulaC23H25N9O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(CNc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)on2)nc1
InChIInChI=1S/C23H25N9O2/c1-2-6-24-17(3-1)19-11-16(34-31-19)14-25-23-27-20(13-22(28-23)32-7-9-33-10-8-32)26-21-12-18(29-30-21)15-4-5-15/h1-3,6,11-13,15H,4-5,7-10,14H2,(H3,25,26,27,28,29,30)
InChIKeySDWDOHSEWUGWHZ-UHFFFAOYSA-N
XLogP3.32
TPSA129.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

N~2~-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]-N~4~-[5-(2-Phenylethyl)-1h-Pyrazol-3-Yl]pyrimidine-2,4-Diamine
CID 60154330
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24774912
5-bromo-4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 60154341
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-[5-(3-methoxypropyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 60154344
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 86267722
5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 67284323
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

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 59757932) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is c1ccc(-c2cc(CNc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)on2)nc1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is SDWDOHSEWUGWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O2/c1-2-6-24-17(3-1)19-11-16(34-31-19)14-25-23-27-20(13-22(28-23)32-7-9-33-10-8-32)26-21-12-18(29-30-21)15-4-5-15/h1-3,6,11-13,15H,4-5,7-10,14H2,(H3,25,26,27,28,29,30).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 459.51 g/mol, XLogP of 3.32, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59757932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).