N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine

C13H15N3O2 — CID 2446536

IUPACN-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CNc2ncccn2)cc1OC
InChIInChI=1S/C13H15N3O2/c1-17-11-5-4-10(8-12(11)18-2)9-16-13-14-6-3-7-15-13/h3-8H,9H2,1-2H3,(H,14,15,16)
InChIKeyPIUVSHNQWMARJD-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.11
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine

N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 2446536) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID2446536
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CNc2ncccn2)cc1OC
InChIInChI=1S/C13H15N3O2/c1-17-11-5-4-10(8-12(11)18-2)9-16-13-14-6-3-7-15-13/h3-8H,9H2,1-2H3,(H,14,15,16)
InChIKeyPIUVSHNQWMARJD-UHFFFAOYSA-N
XLogP2.11
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-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

N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 868190
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359
4-N-(2-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897320
2-N-[(2-chlorophenyl)methyl]-4-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891792
3-[(3,4-dimethoxyphenyl)methylamino]pyridazine-4-carbonitrile
CID 80509293
4-N-(3-chlorophenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897321
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112897214
4-N-(4-tert-butylphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897317
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895133
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259114

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine (CID 2446536) is N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine is COc1ccc(CNc2ncccn2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is PIUVSHNQWMARJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-11-5-4-10(8-12(11)18-2)9-16-13-14-6-3-7-15-13/h3-8H,9H2,1-2H3,(H,14,15,16).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine?
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 245.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 2446536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).