6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine

C17H18N4O2 — CID 112858658

IUPAC6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(C)cc1Nc1cc(NCc2ccco2)ncn1
InChIInChI=1S/C17H18N4O2/c1-12-5-6-15(22-2)14(8-12)21-17-9-16(19-11-20-17)18-10-13-4-3-7-23-13/h3-9,11H,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyGPTSJPUQVNNFLM-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.74
Rot. Bonds6

About 6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine

6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 112858658) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
PubChem CID112858658
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(C)cc1Nc1cc(NCc2ccco2)ncn1
InChIInChI=1S/C17H18N4O2/c1-12-5-6-15(22-2)14(8-12)21-17-9-16(19-11-20-17)18-10-13-4-3-7-23-13/h3-9,11H,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyGPTSJPUQVNNFLM-UHFFFAOYSA-N
XLogP3.74
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine 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-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858581
6-N-(furan-2-ylmethyl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112858616
4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858656
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112860016
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858579
4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858549
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858614
4-N-tert-butyl-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112863804
6-N-(furan-2-ylmethyl)-4-N-[2-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-4,6-diamine
CID 142748428
4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858600
5-(furan-2-ylmethylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109187758

Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine (CID 112858658) is 6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine is COc1ccc(C)cc1Nc1cc(NCc2ccco2)ncn1.
What is the InChIKey of 6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is GPTSJPUQVNNFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-5-6-15(22-2)14(8-12)21-17-9-16(19-11-20-17)18-10-13-4-3-7-23-13/h3-9,11H,10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine?
6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 310.36 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112858658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).