6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine

C13H22N4 — CID 80968032

IUPAC6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCC1CCCN1c1cc(N)nc(C(C)C)n1
InChIInChI=1S/C13H22N4/c1-4-10-6-5-7-17(10)12-8-11(14)15-13(16-12)9(2)3/h8-10H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyKHXZBYAPVOVTME-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.56
Rot. Bonds3

About 6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine

6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80968032) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80968032
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCCC1CCCN1c1cc(N)nc(C(C)C)n1
InChIInChI=1S/C13H22N4/c1-4-10-6-5-7-17(10)12-8-11(14)15-13(16-12)9(2)3/h8-10H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyKHXZBYAPVOVTME-UHFFFAOYSA-N
XLogP2.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6-amino-2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80955483
2-cyclopropyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80968033
[1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794639
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80959998
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198636
[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794344
1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80951641
2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80961896
6-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-ylpyrimidin-4-amine
CID 106590173
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 80794563
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80798660

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine (CID 80968032) is 6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine is CCC1CCCN1c1cc(N)nc(C(C)C)n1.
What is the InChIKey of 6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is KHXZBYAPVOVTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-10-6-5-7-17(10)12-8-11(14)15-13(16-12)9(2)3/h8-10H,4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine?
6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80968032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).