4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine

C14H24N4 — CID 80854955

IUPAC4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(N2CCC(CC)(CC)C2)n1
InChIInChI=1S/C14H24N4/c1-4-14(5-2)8-10-18(11-14)12-7-9-16-13(17-12)15-6-3/h7,9H,4-6,8,10-11H2,1-3H3,(H,15,16,17)
InChIKeyOVKSKQCDIVUZGR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.92
Rot. Bonds5

About 4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine

4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine (PubChem CID 80854955) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine
PubChem CID80854955
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(N2CCC(CC)(CC)C2)n1
InChIInChI=1S/C14H24N4/c1-4-14(5-2)8-10-18(11-14)12-7-9-16-13(17-12)15-6-3/h7,9H,4-6,8,10-11H2,1-3H3,(H,15,16,17)
InChIKeyOVKSKQCDIVUZGR-UHFFFAOYSA-N
XLogP2.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80928758
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylpyrimidin-2-amine
CID 80830977
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906
4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80843521
2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine
CID 63161724
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
CID 166601436
N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80754129
4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80764577
2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol
CID 163351033
N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine
CID 80851519
N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155801027

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine?
The IUPAC name of 4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine (CID 80854955) is 4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine is CCNc1nccc(N2CCC(CC)(CC)C2)n1.
What is the InChIKey of 4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine?
The InChIKey is OVKSKQCDIVUZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-14(5-2)8-10-18(11-14)12-7-9-16-13(17-12)15-6-3/h7,9H,4-6,8,10-11H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine?
4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 80854955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).