2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine

C14H22N4 — CID 80967631

IUPAC2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCCC2C)nc(C2CC2)n1
InChIInChI=1S/C14H22N4/c1-3-15-12-9-13(18-8-4-5-10(18)2)17-14(16-12)11-6-7-11/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyZZOHBKRDUAAQKK-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.77
Rot. Bonds4

About 2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine

2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine (PubChem CID 80967631) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
PubChem CID80967631
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCCC2C)nc(C2CC2)n1
InChIInChI=1S/C14H22N4/c1-3-15-12-9-13(18-8-4-5-10(18)2)17-14(16-12)11-6-7-11/h9-11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyZZOHBKRDUAAQKK-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(2-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80955848
2-cyclopropyl-N-methyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine
CID 80959929
[1-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80967620
6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80791344
2-cyclopropyl-6-(2-ethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80967096
6-(4-chloro-3-methylpyrazol-1-yl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965540
N-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine
CID 80835332
[2-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80936973
2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-N-ethylpyrimidin-4-amine
CID 80966773
2-cyclopropyl-6-(3,5-diethylpyrazol-1-yl)-N-ethylpyrimidin-4-amine
CID 82698934
2-cyclopropyl-N-ethyl-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
CID 80965817
1-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80956690

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine (CID 80967631) is 2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine is CCNc1cc(N2CCCC2C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine?
The InChIKey is ZZOHBKRDUAAQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-15-12-9-13(18-8-4-5-10(18)2)17-14(16-12)11-6-7-11/h9-11H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine?
2-cyclopropyl-N-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine has a molecular weight of 246.36 g/mol, XLogP of 2.77, 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-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80967631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).