6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine

C11H16ClN3O — CID 82463145

IUPAC6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(Cl)cc(NC2CCCC2)n1
InChIInChI=1S/C11H16ClN3O/c1-16-7-11-14-9(12)6-10(15-11)13-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyQQHJJUNRMDFQNR-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.63
Rot. Bonds4

About 6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine

6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 82463145) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID82463145
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(Cl)cc(NC2CCCC2)n1
InChIInChI=1S/C11H16ClN3O/c1-16-7-11-14-9(12)6-10(15-11)13-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyQQHJJUNRMDFQNR-UHFFFAOYSA-N
XLogP2.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-cycloheptyl-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400811
N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 136529582
1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 113401015
N-(1-benzylpiperidin-4-yl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 113400801
4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine
CID 113401294
6-chloro-N-cyclopentyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715432
6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 107530548
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
6-chloro-N-cyclopentyl-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113400832
(4aR,8aR)-1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727533
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 82463163
2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde
CID 115027180

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine (CID 82463145) is 6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(Cl)cc(NC2CCCC2)n1.
What is the InChIKey of 6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is QQHJJUNRMDFQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-16-7-11-14-9(12)6-10(15-11)13-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine?
6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 241.72 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 82463145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).