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

C16H17N5O2 — CID 112878329

IUPAC6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1cc(Nc2cc(C)on2)nc(C)n1
InChIInChI=1S/C16H17N5O2/c1-10-8-16(21-23-10)20-15-9-14(17-11(2)18-15)19-12-6-4-5-7-13(12)22-3/h4-9H,1-3H3,(H2,17,18,19,20,21)
InChIKeyFZVNBFNRZOMJFV-UHFFFAOYSA-N
MW311.35 g/mol
LogP3.58
Rot. Bonds5

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

6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine (PubChem CID 112878329) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
PubChem CID112878329
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1cc(Nc2cc(C)on2)nc(C)n1
InChIInChI=1S/C16H17N5O2/c1-10-8-16(21-23-10)20-15-9-14(17-11(2)18-15)19-12-6-4-5-7-13(12)22-3/h4-9H,1-3H3,(H2,17,18,19,20,21)
InChIKeyFZVNBFNRZOMJFV-UHFFFAOYSA-N
XLogP3.58
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878650
6-N-(2-bromophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878982
methyl 2-[[2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 112878838
ethyl 2-[[2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 112879132
6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878300
4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112878299
4-N-(2-methoxyphenyl)-2-methyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878286
6-N-(4-methoxyphenyl)-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878388
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878306
6-N-(4-bromo-2-methylphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878999
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869929
methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878293

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine (CID 112878329) is 6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine is COc1ccccc1Nc1cc(Nc2cc(C)on2)nc(C)n1.
What is the InChIKey of 6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
The InChIKey is FZVNBFNRZOMJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-8-16(21-23-10)20-15-9-14(17-11(2)18-15)19-12-6-4-5-7-13(12)22-3/h4-9H,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine?
6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine has a molecular weight of 311.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112878329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).