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

C18H21N5O — CID 112932348

IUPAC2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nc(C)cc(Nc2cc(C)on2)n1
InChIInChI=1S/C18H21N5O/c1-5-23(15-8-6-7-12(2)9-15)18-19-13(3)10-16(21-18)20-17-11-14(4)24-22-17/h6-11H,5H2,1-4H3,(H,19,20,21,22)
InChIKeyGSUQKDSUPMITIG-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.29
Rot. Bonds5

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

2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112932348) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112932348
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1nc(C)cc(Nc2cc(C)on2)n1
InChIInChI=1S/C18H21N5O/c1-5-23(15-8-6-7-12(2)9-15)18-19-13(3)10-16(21-18)20-17-11-14(4)24-22-17/h6-11H,5H2,1-4H3,(H,19,20,21,22)
InChIKeyGSUQKDSUPMITIG-UHFFFAOYSA-N
XLogP4.29
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-methyl-4-N-(2-methylphenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927072
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112867195
2-N-ethyl-4-N-(2-methoxyphenyl)-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112930483
4-N-(2,5-dimethoxyphenyl)-2-N-ethyl-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112931154
2-N-ethyl-6-methyl-2-N-(3-methylphenyl)-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907876
4-(aminomethyl)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541694
2-N-ethyl-4-N-[(2-fluorophenyl)methyl]-6-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112917326
2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112927331
2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112925140
4-N-ethyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
CID 112865483
N-ethyl-4-(4-ethylpiperazin-1-yl)-6-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 112914294
4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112928845

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 112932348) is 2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is CCN(c1cccc(C)c1)c1nc(C)cc(Nc2cc(C)on2)n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is GSUQKDSUPMITIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-5-23(15-8-6-7-12(2)9-15)18-19-13(3)10-16(21-18)20-17-11-14(4)24-22-17/h6-11H,5H2,1-4H3,(H,19,20,21,22).
What are the key properties of 2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 323.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112932348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).