N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine

C10H14ClN3 — CID 106124303

IUPACN-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine
SMILESClC1CCC(CNc2ncccn2)C1
InChIInChI=1S/C10H14ClN3/c11-9-3-2-8(6-9)7-14-10-12-4-1-5-13-10/h1,4-5,8-9H,2-3,6-7H2,(H,12,13,14)
InChIKeyRKOCOROPRXOGJX-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.30
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine

N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine (PubChem CID 106124303) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine
PubChem CID106124303
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC NameN-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine
SMILESClC1CCC(CNc2ncccn2)C1
InChIInChI=1S/C10H14ClN3/c11-9-3-2-8(6-9)7-14-10-12-4-1-5-13-10/h1,4-5,8-9H,2-3,6-7H2,(H,12,13,14)
InChIKeyRKOCOROPRXOGJX-UHFFFAOYSA-N
XLogP2.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine
CID 106123816
N-(cyclopentylmethyl)pyrimidin-2-amine
CID 43317116
N-[(3-chlorocyclopentyl)methyl]-1,2,4-benzotriazin-3-amine
CID 114146607
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine
CID 106123958
5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine
CID 106126066
N-[(3-chlorocyclohexyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 106125511
N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106124330
5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine
CID 106123930
N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 106124235
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine
CID 106124022
N-[(2-cyclopropylcyclopropyl)methyl]pyrimidin-2-amine
CID 131176599
3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269690

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine (CID 106124303) is N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine is ClC1CCC(CNc2ncccn2)C1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine?
The InChIKey is RKOCOROPRXOGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c11-9-3-2-8(6-9)7-14-10-12-4-1-5-13-10/h1,4-5,8-9H,2-3,6-7H2,(H,12,13,14).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine?
N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine has a molecular weight of 211.70 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 106124303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).