2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C14H14N6O — CID 112893554

IUPAC2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nccc(NCc3cccnc3)n2)no1
InChIInChI=1S/C14H14N6O/c1-10-7-13(20-21-10)19-14-16-6-4-12(18-14)17-9-11-3-2-5-15-8-11/h2-8H,9H2,1H3,(H2,16,17,18,19,20)
InChIKeyVFIALKRZVIMRTN-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.52
Rot. Bonds5

About 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112893554) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112893554
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nccc(NCc3cccnc3)n2)no1
InChIInChI=1S/C14H14N6O/c1-10-7-13(20-21-10)19-14-16-6-4-12(18-14)17-9-11-3-2-5-15-8-11/h2-8H,9H2,1H3,(H2,16,17,18,19,20)
InChIKeyVFIALKRZVIMRTN-UHFFFAOYSA-N
XLogP2.52
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889977
2-N-(4-ethylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893462
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80944833
2-N-(2-chloro-4,6-dimethylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893482
2-N-(4-phenoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893518
2-N-(2-propan-2-ylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893465
4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893591
N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259097
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3232817
methyl 3-[[4-(pyridin-3-ylmethylamino)pyrimidin-2-yl]amino]benzoate
CID 112893506
4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 23478866

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 112893554) is 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(Nc2nccc(NCc3cccnc3)n2)no1.
What is the InChIKey of 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is VFIALKRZVIMRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-10-7-13(20-21-10)19-14-16-6-4-12(18-14)17-9-11-3-2-5-15-8-11/h2-8H,9H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 282.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112893554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).