N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine

C12H18ClN3O — CID 112639314

IUPACN-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCC2CCCC2Cl)n1
InChIInChI=1S/C12H18ClN3O/c1-2-17-11-6-7-14-12(16-11)15-8-9-4-3-5-10(9)13/h6-7,9-10H,2-5,8H2,1H3,(H,14,15,16)
InChIKeyNSKNJMIWQFZIHA-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.69
Rot. Bonds5

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

N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine (PubChem CID 112639314) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
PubChem CID112639314
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCC2CCCC2Cl)n1
InChIInChI=1S/C12H18ClN3O/c1-2-17-11-6-7-14-12(16-11)15-8-9-4-3-5-10(9)13/h6-7,9-10H,2-5,8H2,1H3,(H,14,15,16)
InChIKeyNSKNJMIWQFZIHA-UHFFFAOYSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.69
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-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639496
N-[(3-chlorocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639324
N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyridin-2-amine
CID 65029145
N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639518
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 112637316
N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyrazin-2-amine
CID 65028885
N-[(2-chlorocyclohexyl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 113293077
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine
CID 115974598
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine
CID 112639257
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine (CID 112639314) is N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NCC2CCCC2Cl)n1.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine?
The InChIKey is NSKNJMIWQFZIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-2-17-11-6-7-14-12(16-11)15-8-9-4-3-5-10(9)13/h6-7,9-10H,2-5,8H2,1H3,(H,14,15,16).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine?
N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine has a molecular weight of 255.75 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 112639314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).