2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine

C19H23N5O — CID 112925140

IUPAC2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C)on2)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C19H23N5O/c1-13(2)24(12-16-8-6-5-7-9-16)19-20-14(3)10-17(22-19)21-18-11-15(4)25-23-18/h5-11,13H,12H2,1-4H3,(H,20,21,22,23)
InChIKeyUJHPTBUJPSWPPI-UHFFFAOYSA-N
MW337.43 g/mol
LogP4.24
Rot. Bonds6

About 2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine

2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112925140) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112925140
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cc(C)on2)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C19H23N5O/c1-13(2)24(12-16-8-6-5-7-9-16)19-20-14(3)10-17(22-19)21-18-11-15(4)25-23-18/h5-11,13H,12H2,1-4H3,(H,20,21,22,23)
InChIKeyUJHPTBUJPSWPPI-UHFFFAOYSA-N
XLogP4.24
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine with MolForge

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Related Compounds

3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959551
2-N-benzyl-6-methyl-2-N,4-N-di(propan-2-yl)pyrimidine-2,4-diamine
CID 112907142
2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112910397
2-N-benzyl-4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112920555
2-N-ethyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112932348
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321059
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330248
6-[benzyl(propan-2-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109161118
N-benzyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-propan-2-ylpyridine-3-carboxamide
CID 109161151
N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109369543
5-[benzyl(propan-2-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109287764
N-benzyl-4,6-dichloro-N-propan-2-yl-1,3,5-triazin-2-amine
CID 55124467

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine (CID 112925140) is 2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine is Cc1cc(Nc2cc(C)on2)nc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is UJHPTBUJPSWPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13(2)24(12-16-8-6-5-7-9-16)19-20-14(3)10-17(22-19)21-18-11-15(4)25-23-18/h5-11,13H,12H2,1-4H3,(H,20,21,22,23).
What are the key properties of 2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 337.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112925140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).