2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine

C14H22N4 — CID 80980816

IUPAC2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(N2CCCC2)c1C
InChIInChI=1S/C14H22N4/c1-3-15-12-10(2)14(18-8-4-5-9-18)17-13(16-12)11-6-7-11/h11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyILQWYMQIXPRMHW-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.69
Rot. Bonds4

About 2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine

2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 80980816) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID80980816
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(N2CCCC2)c1C
InChIInChI=1S/C14H22N4/c1-3-15-12-10(2)14(18-8-4-5-9-18)17-13(16-12)11-6-7-11/h11H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyILQWYMQIXPRMHW-UHFFFAOYSA-N
XLogP2.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-ethyl-5-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80981359
6-(azocan-1-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80982039
2-cyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80984725
2-cyclopropyl-6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992120
2-[1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802868
2-cyclopropyl-5-methyl-6-piperazin-1-yl-N-propylpyrimidin-4-amine
CID 80984339
2-cyclopropyl-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80992622
acetaldehyde;6-(azepan-1-yl)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 142817671
2-cyclopropyl-N-ethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80984939
N-ethyl-5-methyl-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80981685
2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80988896
2-cyclopropyl-6-(3,3-dimethylmorpholin-4-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80986182

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 80980816) is 2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine is CCNc1nc(C2CC2)nc(N2CCCC2)c1C.
What is the InChIKey of 2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is ILQWYMQIXPRMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-15-12-10(2)14(18-8-4-5-9-18)17-13(16-12)11-6-7-11/h11H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine?
2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 246.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 80980816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).