2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine

C11H16ClN3O — CID 63833715

IUPAC2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine
SMILESClc1nccc(NCCOC2CCCC2)n1
InChIInChI=1S/C11H16ClN3O/c12-11-14-6-5-10(15-11)13-7-8-16-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,13,14,15)
InChIKeyPNWUZRAPEPKGLF-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.50
Rot. Bonds5

About 2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine

2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine (PubChem CID 63833715) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine
PubChem CID63833715
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine
SMILESClc1nccc(NCCOC2CCCC2)n1
InChIInChI=1S/C11H16ClN3O/c12-11-14-6-5-10(15-11)13-7-8-16-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,13,14,15)
InChIKeyPNWUZRAPEPKGLF-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63316886
N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine
CID 133308532
6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine
CID 80846644
6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine
CID 80647858
2-chloro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 62343653
2-(2-cyclohexyloxyethylamino)pyridine-4-carbonitrile
CID 63826491
N-(2-cyclohexyloxyethyl)pyrazin-2-amine
CID 61064390
2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112884308
N-(2-cyclohexyloxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372569
6-chloro-N-(2-cyclohexyloxyethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767839
2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine
CID 63826021
2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
CID 107544548

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine (CID 63833715) is 2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine is Clc1nccc(NCCOC2CCCC2)n1.
What is the InChIKey of 2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine?
The InChIKey is PNWUZRAPEPKGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-11-14-6-5-10(15-11)13-7-8-16-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,13,14,15).
What are the key properties of 2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine?
2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine has a molecular weight of 241.72 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 63833715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).