7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C20H24ClN5O2 — CID 163944472

IUPAC7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(CNc2nc(Cl)c(C)c3nc(C4CCCC4)nn23)c(OC)c1
InChIInChI=1S/C20H24ClN5O2/c1-12-17(21)23-20(22-11-14-8-9-15(27-2)10-16(14)28-3)26-19(12)24-18(25-26)13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H,22,23)
InChIKeyRTWXATRZMFFYMX-UHFFFAOYSA-N
MW401.90 g/mol
LogP4.37
Rot. Bonds6

About 7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 163944472) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is 7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID163944472
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC Name7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(CNc2nc(Cl)c(C)c3nc(C4CCCC4)nn23)c(OC)c1
InChIInChI=1S/C20H24ClN5O2/c1-12-17(21)23-20(22-11-14-8-9-15(27-2)10-16(14)28-3)26-19(12)24-18(25-26)13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H,22,23)
InChIKeyRTWXATRZMFFYMX-UHFFFAOYSA-N
XLogP4.37
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 163944472) is 7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COc1ccc(CNc2nc(Cl)c(C)c3nc(C4CCCC4)nn23)c(OC)c1.
What is the InChIKey of 7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is RTWXATRZMFFYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-12-17(21)23-20(22-11-14-8-9-15(27-2)10-16(14)28-3)26-19(12)24-18(25-26)13-6-4-5-7-13/h8-10,13H,4-7,11H2,1-3H3,(H,22,23).
What are the key properties of 7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 401.90 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 163944472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).