4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

C17H19N5O — CID 112867195

IUPAC4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCCN(c1cccc(C)c1)c1cc(Nc2cc(C)on2)ncn1
InChIInChI=1S/C17H19N5O/c1-4-22(14-7-5-6-12(2)8-14)17-10-15(18-11-19-17)20-16-9-13(3)23-21-16/h5-11H,4H2,1-3H3,(H,18,19,20,21)
InChIKeyFDIOEVPMMAGGCD-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.98
Rot. Bonds5

About 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112867195) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112867195
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCCN(c1cccc(C)c1)c1cc(Nc2cc(C)on2)ncn1
InChIInChI=1S/C17H19N5O/c1-4-22(14-7-5-6-12(2)8-14)17-10-15(18-11-19-17)20-16-9-13(3)23-21-16/h5-11H,4H2,1-3H3,(H,18,19,20,21)
InChIKeyFDIOEVPMMAGGCD-UHFFFAOYSA-N
XLogP3.98
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
CID 112865483
4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
CID 112866961
2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112932348
6-N-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112855248
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539704
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 23478134
4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859221
6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863776
4-N-ethyl-4-N-(4-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80817660
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 61076372
3-(N-ethyl-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109042852
N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide
CID 109042848

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (CID 112867195) is 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is CCN(c1cccc(C)c1)c1cc(Nc2cc(C)on2)ncn1.
What is the InChIKey of 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is FDIOEVPMMAGGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-4-22(14-7-5-6-12(2)8-14)17-10-15(18-11-19-17)20-16-9-13(3)23-21-16/h5-11H,4H2,1-3H3,(H,18,19,20,21).
What are the key properties of 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 309.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112867195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).