4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine

C16H16ClN5O2 — CID 22546010

IUPAC4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Cl)cc1Nc1ncnc(NCc2ccco2)c1N
InChIInChI=1S/C16H16ClN5O2/c1-23-13-5-4-10(17)7-12(13)22-16-14(18)15(20-9-21-16)19-8-11-3-2-6-24-11/h2-7,9H,8,18H2,1H3,(H2,19,20,21,22)
InChIKeyYEEGIIQCWMIJJJ-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.67
Rot. Bonds6

About 4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine

4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine (PubChem CID 22546010) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
PubChem CID22546010
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(Cl)cc1Nc1ncnc(NCc2ccco2)c1N
InChIInChI=1S/C16H16ClN5O2/c1-23-13-5-4-10(17)7-12(13)22-16-14(18)15(20-9-21-16)19-8-11-3-2-6-24-11/h2-7,9H,8,18H2,1H3,(H2,19,20,21,22)
InChIKeyYEEGIIQCWMIJJJ-UHFFFAOYSA-N
XLogP3.67
TPSA98.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2,5-dimethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19142691
6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1158968
4-N-(furan-2-ylmethyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142538
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 19146076
6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346394
6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 19146084
4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541353
6-N-(furan-2-ylmethyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 19136939
N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303347
6-N-[(2-chlorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 19146169
N-(furan-2-ylmethyl)-7,8-dimethoxyquinazolin-4-amine
CID 110431410
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 22546108

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine (CID 22546010) is 4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine is COc1ccc(Cl)cc1Nc1ncnc(NCc2ccco2)c1N.
What is the InChIKey of 4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine?
The InChIKey is YEEGIIQCWMIJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-23-13-5-4-10(17)7-12(13)22-16-14(18)15(20-9-21-16)19-8-11-3-2-6-24-11/h2-7,9H,8,18H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine?
4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine has a molecular weight of 345.79 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22546010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).