N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine

C13H20ClN3O — CID 66333015

IUPACN-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC2CCCC2Cl)ncn1
InChIInChI=1S/C13H20ClN3O/c1-2-6-18-13-7-12(16-9-17-13)15-8-10-4-3-5-11(10)14/h7,9-11H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyLLULZMZEBZKZGU-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.08
Rot. Bonds6

About N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine

N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine (PubChem CID 66333015) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine
PubChem CID66333015
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC2CCCC2Cl)ncn1
InChIInChI=1S/C13H20ClN3O/c1-2-6-18-13-7-12(16-9-17-13)15-8-10-4-3-5-11(10)14/h7,9-11H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyLLULZMZEBZKZGU-UHFFFAOYSA-N
XLogP3.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine
CID 65029242
N-[(2-chlorocyclohexyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106973738
N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine
CID 66331387
N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine
CID 65029145
[2-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 66325187
2-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 66318562
N-(1,4-dioxan-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 66328979
N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyrazin-2-amine
CID 65028885
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-propoxypyrimidin-4-amine
CID 107389682
[2-(6-propoxypyrimidin-4-yl)oxycyclopentyl]methanamine
CID 66333410
6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 79363085
N-[(3-aminocyclohexyl)methyl]-6-ethoxypyrimidin-4-amine
CID 106128479

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine (CID 66333015) is N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine is CCCOc1cc(NCC2CCCC2Cl)ncn1.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine?
The InChIKey is LLULZMZEBZKZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-6-18-13-7-12(16-9-17-13)15-8-10-4-3-5-11(10)14/h7,9-11H,2-6,8H2,1H3,(H,15,16,17).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine?
N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 66333015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).