6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine

C19H22N4O3 — CID 112858579

IUPAC6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(CCNc2cc(NCc3ccco3)ncn2)cc1OC
InChIInChI=1S/C19H22N4O3/c1-24-16-6-5-14(10-17(16)25-2)7-8-20-18-11-19(23-13-22-18)21-12-15-4-3-9-26-15/h3-6,9-11,13H,7-8,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyTXQTXAXAFSSUAV-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.35
Rot. Bonds9

About 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine

6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112858579) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112858579
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(CCNc2cc(NCc3ccco3)ncn2)cc1OC
InChIInChI=1S/C19H22N4O3/c1-24-16-6-5-14(10-17(16)25-2)7-8-20-18-11-19(23-13-22-18)21-12-15-4-3-9-26-15/h3-6,9-11,13H,7-8,12H2,1-2H3,(H2,20,21,22,23)
InChIKeyTXQTXAXAFSSUAV-UHFFFAOYSA-N
XLogP3.35
TPSA81.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858581
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858580
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860212
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859723
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861690
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112862461
6-N-(furan-2-ylmethyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858658
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861279
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862477
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine
CID 61236065
3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 83461576
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 2954103

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine (CID 112858579) is 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine is COc1ccc(CCNc2cc(NCc3ccco3)ncn2)cc1OC.
What is the InChIKey of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is TXQTXAXAFSSUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-24-16-6-5-14(10-17(16)25-2)7-8-20-18-11-19(23-13-22-18)21-12-15-4-3-9-26-15/h3-6,9-11,13H,7-8,12H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 354.41 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112858579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).