4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine

C14H17N3O — CID 112691004

IUPAC4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCc2ccccc2C)n1
InChIInChI=1S/C14H17N3O/c1-10-6-4-5-7-12(10)9-15-14-16-11(2)8-13(17-14)18-3/h4-8H,9H2,1-3H3,(H,15,16,17)
InChIKeyNAOIJFVPFSEVIO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.71
Rot. Bonds4

About 4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine

4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine (PubChem CID 112691004) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
PubChem CID112691004
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCc2ccccc2C)n1
InChIInChI=1S/C14H17N3O/c1-10-6-4-5-7-12(10)9-15-14-16-11(2)8-13(17-14)18-3/h4-8H,9H2,1-3H3,(H,15,16,17)
InChIKeyNAOIJFVPFSEVIO-UHFFFAOYSA-N
XLogP2.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691839
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 115633925
4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112915980
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112915976
4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908483
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915986
6-methyl-4-N-[(2-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915782
4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915931
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112706250
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112915922

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine (CID 112691004) is 4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine is COc1cc(C)nc(NCc2ccccc2C)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is NAOIJFVPFSEVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-6-4-5-7-12(10)9-15-14-16-11(2)8-13(17-14)18-3/h4-8H,9H2,1-3H3,(H,15,16,17).
What are the key properties of 4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine?
4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112691004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).