4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine

C17H20N6O — CID 22540440

IUPAC4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cc(Nc2ncnc(Nc3ccc(C(C)C)cc3)c2N)no1
InChIInChI=1S/C17H20N6O/c1-10(2)12-4-6-13(7-5-12)21-16-15(18)17(20-9-19-16)22-14-8-11(3)24-23-14/h4-10H,18H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyCEGSCGWFQOTHRP-UHFFFAOYSA-N
MW324.39 g/mol
LogP3.97
Rot. Bonds5

About 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine

4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22540440) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22540440
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cc(Nc2ncnc(Nc3ccc(C(C)C)cc3)c2N)no1
InChIInChI=1S/C17H20N6O/c1-10(2)12-4-6-13(7-5-12)21-16-15(18)17(20-9-19-16)22-14-8-11(3)24-23-14/h4-10H,18H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyCEGSCGWFQOTHRP-UHFFFAOYSA-N
XLogP3.97
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540535
6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540408
6-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540413
4-N-(4-phenoxyphenyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134746
4-N,4-N-dimethyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540452
6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22547831
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540447
4-N-(3,5-dimethylphenyl)-6-(4-propan-2-ylphenoxy)pyrimidine-4,5-diamine
CID 22540925
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22540502
4-N-(2-chloro-3-pyridinyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134754
6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
CID 22540634
6-(2-methoxyphenoxy)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
CID 22540628

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine (CID 22540440) is 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine is Cc1cc(Nc2ncnc(Nc3ccc(C(C)C)cc3)c2N)no1.
What is the InChIKey of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is CEGSCGWFQOTHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-10(2)12-4-6-13(7-5-12)21-16-15(18)17(20-9-19-16)22-14-8-11(3)24-23-14/h4-10H,18H2,1-3H3,(H2,19,20,21,22,23).
What are the key properties of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine?
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 324.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22540440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).