N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine

C12H19N3O — CID 62086991

IUPACN-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine
SMILESCOC1CCCC1Nc1cc(C)nc(C)n1
InChIInChI=1S/C12H19N3O/c1-8-7-12(14-9(2)13-8)15-10-5-4-6-11(10)16-3/h7,10-11H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyDQAFJLXBYAKLAG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.07
Rot. Bonds3

About N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine

N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine (PubChem CID 62086991) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine
PubChem CID62086991
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine
SMILESCOC1CCCC1Nc1cc(C)nc(C)n1
InChIInChI=1S/C12H19N3O/c1-8-7-12(14-9(2)13-8)15-10-5-4-6-11(10)16-3/h7,10-11H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyDQAFJLXBYAKLAG-UHFFFAOYSA-N
XLogP2.07
TPSA47.04 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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine (CID 62086991) is N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine is COC1CCCC1Nc1cc(C)nc(C)n1.
What is the InChIKey of N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine?
The InChIKey is DQAFJLXBYAKLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-7-12(14-9(2)13-8)15-10-5-4-6-11(10)16-3/h7,10-11H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine?
N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclopentyl)-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62086991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).