N-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine

C12H18ClN3O — CID 66332973

IUPACN-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC2(CCl)CCCC2)ncn1
InChIInChI=1S/C12H18ClN3O/c1-2-17-11-7-10(14-9-15-11)16-12(8-13)5-3-4-6-12/h7,9H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyKGJFLIRHEJEIBO-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.84
Rot. Bonds5

About N-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine

N-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine (PubChem CID 66332973) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine
PubChem CID66332973
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC2(CCl)CCCC2)ncn1
InChIInChI=1S/C12H18ClN3O/c1-2-17-11-7-10(14-9-15-11)16-12(8-13)5-3-4-6-12/h7,9H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyKGJFLIRHEJEIBO-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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-[1-(chloromethyl)cyclohexyl]-6-ethoxypyrimidin-4-amine
CID 66333382
N-[1-(chloromethyl)-3-methylcyclohexyl]-6-ethoxypyrimidin-4-amine
CID 66333581
N-[4-(chloromethyl)oxan-4-yl]-6-propoxypyrimidin-4-amine
CID 106300113
N-[1-(chloromethyl)cyclopentyl]-6-propylpyrimidin-4-amine
CID 65028976
N-[1-(chloromethyl)-4-methylcyclohexyl]-6-propoxypyrimidin-4-amine
CID 66332609
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-ethoxypyrimidin-4-amine
CID 113294686
N-[1-(chloromethyl)cyclopentyl]-6-propan-2-ylpyrimidin-4-amine
CID 65029648
N-[1-(chloromethyl)-3-methylcyclohexyl]-6-methoxypyrimidin-4-amine
CID 66317642
N-[1-(chloromethyl)cyclopentyl]-4-ethoxypyrimidin-2-amine
CID 112639280
6-ethoxy-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 104917819
[1-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103967277
N-[4-(chloromethyl)oxan-4-yl]-6-propylpyrimidin-4-amine
CID 114170441

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine (CID 66332973) is N-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine is CCOc1cc(NC2(CCl)CCCC2)ncn1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine?
The InChIKey is KGJFLIRHEJEIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-2-17-11-7-10(14-9-15-11)16-12(8-13)5-3-4-6-12/h7,9H,2-6,8H2,1H3,(H,14,15,16).
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine?
N-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine has a molecular weight of 255.75 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-6-ethoxypyrimidin-4-amine is sourced from PubChem (CID 66332973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).