6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile

C15H16N4O — CID 115143301

IUPAC6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile
SMILESCOc1ccc(C)cc1CNc1cc(C#N)nc(C)n1
InChIInChI=1S/C15H16N4O/c1-10-4-5-14(20-3)12(6-10)9-17-15-7-13(8-16)18-11(2)19-15/h4-7H,9H2,1-3H3,(H,17,18,19)
InChIKeyMDCKRBJJCBIOAG-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.59
Rot. Bonds4

About 6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile

6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile (PubChem CID 115143301) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile
PubChem CID115143301
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile
SMILESCOc1ccc(C)cc1CNc1cc(C#N)nc(C)n1
InChIInChI=1S/C15H16N4O/c1-10-4-5-14(20-3)12(6-10)9-17-15-7-13(8-16)18-11(2)19-15/h4-7H,9H2,1-3H3,(H,17,18,19)
InChIKeyMDCKRBJJCBIOAG-UHFFFAOYSA-N
XLogP2.59
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]pyrimidine-4-carbonitrile
CID 115143317
6-(3-ethyl-4-methoxyanilino)-2-methylpyrimidine-4-carbonitrile
CID 115143180
3-[(2-methoxy-5-methylphenyl)methylamino]benzonitrile
CID 43408626
6-[(2-methoxy-4-methylphenyl)methylamino]pyridazine-3-carbonitrile
CID 133419821
4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 115265493
3-[(2-bromo-5-methylanilino)methyl]-4-methoxybenzonitrile
CID 82713778
5-fluoro-2-[(2-methoxy-5-methylphenyl)methylamino]benzonitrile
CID 79034337
4-N-[(2-methoxyphenyl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80770615
6-[(3-bromophenyl)methylamino]-2-methylpyrimidine-4-carbonitrile
CID 115143328
4-N-(2-methoxy-5-methylphenyl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872974
6-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-methylpyrimidine-4-carbonitrile
CID 115143303
N-(2-methoxy-5-methylphenyl)-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370258

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile?
The IUPAC name of 6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile (CID 115143301) is 6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile is COc1ccc(C)cc1CNc1cc(C#N)nc(C)n1.
What is the InChIKey of 6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile?
The InChIKey is MDCKRBJJCBIOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-4-5-14(20-3)12(6-10)9-17-15-7-13(8-16)18-11(2)19-15/h4-7H,9H2,1-3H3,(H,17,18,19).
What are the key properties of 6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile?
6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 115143301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).