2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine

C14H17N3O2 — CID 82301102

IUPAC2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine
SMILESCOc1cc(Cc2ncc(N)cn2)c(OC)cc1C
InChIInChI=1S/C14H17N3O2/c1-9-4-13(19-3)10(5-12(9)18-2)6-14-16-7-11(15)8-17-14/h4-5,7-8H,6,15H2,1-3H3
InChIKeyIJRPCPHDRKMZOX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.98
Rot. Bonds4

About 2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine

2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine (PubChem CID 82301102) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine
PubChem CID82301102
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine
SMILESCOc1cc(Cc2ncc(N)cn2)c(OC)cc1C
InChIInChI=1S/C14H17N3O2/c1-9-4-13(19-3)10(5-12(9)18-2)6-14-16-7-11(15)8-17-14/h4-5,7-8H,6,15H2,1-3H3
InChIKeyIJRPCPHDRKMZOX-UHFFFAOYSA-N
XLogP1.98
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine
CID 82293774
2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine
CID 82301107
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine
CID 82300056
1-(3-chloropropyl)-2,5-dimethoxy-4-methylbenzene
CID 116926660
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
1-(2,5-dimethoxy-4-methylphenyl)-N-methylbutan-2-amine
CID 112513297
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine?
The IUPAC name of 2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine (CID 82301102) is 2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine.
What is the SMILES notation for 2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine?
The canonical SMILES for 2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine is COc1cc(Cc2ncc(N)cn2)c(OC)cc1C.
What is the InChIKey of 2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine?
The InChIKey is IJRPCPHDRKMZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-4-13(19-3)10(5-12(9)18-2)6-14-16-7-11(15)8-17-14/h4-5,7-8H,6,15H2,1-3H3.
What are the key properties of 2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine?
2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine has a molecular weight of 259.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 82301102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).