N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine

C17H17N3O3 — CID 3235132

IUPACN-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncncc2-c2ccoc2)c(OC)c1
InChIInChI=1S/C17H17N3O3/c1-21-14-4-3-12(16(7-14)22-2)8-19-17-15(9-18-11-20-17)13-5-6-23-10-13/h3-7,9-11H,8H2,1-2H3,(H,18,19,20)
InChIKeyCHVFXPFTSAHLOW-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.37
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine (PubChem CID 3235132) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine
PubChem CID3235132
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncncc2-c2ccoc2)c(OC)c1
InChIInChI=1S/C17H17N3O3/c1-21-14-4-3-12(16(7-14)22-2)8-19-17-15(9-18-11-20-17)13-5-6-23-10-13/h3-7,9-11H,8H2,1-2H3,(H,18,19,20)
InChIKeyCHVFXPFTSAHLOW-UHFFFAOYSA-N
XLogP3.37
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine (CID 3235132) is N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine is COc1ccc(CNc2ncncc2-c2ccoc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine?
The InChIKey is CHVFXPFTSAHLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-21-14-4-3-12(16(7-14)22-2)8-19-17-15(9-18-11-20-17)13-5-6-23-10-13/h3-7,9-11H,8H2,1-2H3,(H,18,19,20).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine has a molecular weight of 311.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-5-(furan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 3235132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).