6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine

C12H19N3O — CID 102551445

IUPAC6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine
SMILESCOC(C)c1nc(N)cc(C2CCCC2)n1
InChIInChI=1S/C12H19N3O/c1-8(16-2)12-14-10(7-11(13)15-12)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyBCNBHDUHOCCQEJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.42
Rot. Bonds3

About 6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine

6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine (PubChem CID 102551445) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine
PubChem CID102551445
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine
SMILESCOC(C)c1nc(N)cc(C2CCCC2)n1
InChIInChI=1S/C12H19N3O/c1-8(16-2)12-14-10(7-11(13)15-12)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyBCNBHDUHOCCQEJ-UHFFFAOYSA-N
XLogP2.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine (CID 102551445) is 6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine is COC(C)c1nc(N)cc(C2CCCC2)n1.
What is the InChIKey of 6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine?
The InChIKey is BCNBHDUHOCCQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(16-2)12-14-10(7-11(13)15-12)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine?
6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-(1-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 102551445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).