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

C17H17ClN4O — CID 112858580

IUPAC6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESClc1ccc(CCNc2cc(NCc3ccco3)ncn2)cc1
InChIInChI=1S/C17H17ClN4O/c18-14-5-3-13(4-6-14)7-8-19-16-10-17(22-12-21-16)20-11-15-2-1-9-23-15/h1-6,9-10,12H,7-8,11H2,(H2,19,20,21,22)
InChIKeyHENZROFEXOMFCJ-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.99
Rot. Bonds7

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

6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112858580) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112858580
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESClc1ccc(CCNc2cc(NCc3ccco3)ncn2)cc1
InChIInChI=1S/C17H17ClN4O/c18-14-5-3-13(4-6-14)7-8-19-16-10-17(22-12-21-16)20-11-15-2-1-9-23-15/h1-6,9-10,12H,7-8,11H2,(H2,19,20,21,22)
InChIKeyHENZROFEXOMFCJ-UHFFFAOYSA-N
XLogP3.99
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858579
6-N-[2-(2-fluorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858566
N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80899019
4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 167864610
N-[(4-chlorophenyl)methyl]-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346134
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859177
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858600
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858614
4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858549
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858581
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine (CID 112858580) is 6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine is Clc1ccc(CCNc2cc(NCc3ccco3)ncn2)cc1.
What is the InChIKey of 6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is HENZROFEXOMFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-14-5-3-13(4-6-14)7-8-19-16-10-17(22-12-21-16)20-11-15-2-1-9-23-15/h1-6,9-10,12H,7-8,11H2,(H2,19,20,21,22).
What are the key properties of 6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 328.80 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112858580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).