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

C20H20N8O — CID 59757781

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3cccnc3)no2)n1
InChIInChI=1S/C20H20N8O/c1-12-7-18(24-19-9-16(26-27-19)13-4-5-13)25-20(23-12)22-11-15-8-17(28-29-15)14-3-2-6-21-10-14/h2-3,6-10,13H,4-5,11H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyDXZXQSHJPGLYFB-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.79
Rot. Bonds7

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

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 59757781) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID59757781
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3cccnc3)no2)n1
InChIInChI=1S/C20H20N8O/c1-12-7-18(24-19-9-16(26-27-19)13-4-5-13)25-20(23-12)22-11-15-8-17(28-29-15)14-3-2-6-21-10-14/h2-3,6-10,13H,4-5,11H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyDXZXQSHJPGLYFB-UHFFFAOYSA-N
XLogP3.79
TPSA117.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 59757781) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-pyridin-3-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-methyl-2-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3cccnc3)no2)n1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is DXZXQSHJPGLYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-12-7-18(24-19-9-16(26-27-19)13-4-5-13)25-20(23-12)22-11-15-8-17(28-29-15)14-3-2-6-21-10-14/h2-3,6-10,13H,4-5,11H2,1H3,(H3,22,23,24,25,26,27).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 388.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59757781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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