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

C12H20N4 — CID 80798245

IUPACN-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCCC2CC)ncn1
InChIInChI=1S/C12H20N4/c1-3-10-6-5-7-16(10)12-8-11(13-4-2)14-9-15-12/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyUBYVTUYZLBTDHS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.29
Rot. Bonds4

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

N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine (PubChem CID 80798245) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
PubChem CID80798245
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCCC2CC)ncn1
InChIInChI=1S/C12H20N4/c1-3-10-6-5-7-16(10)12-8-11(13-4-2)14-9-15-12/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyUBYVTUYZLBTDHS-UHFFFAOYSA-N
XLogP2.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
N-[6-(2-ethylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112857436
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112856254
4-(2-ethylpyrrolidin-1-yl)-6-fluoropyrimidine
CID 115416581
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyrimidin-4-amine
CID 112862577
N-ethyl-6-(4-methylazepan-1-yl)pyrimidin-4-amine
CID 80834548
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
N-ethyl-6-(2-ethylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 104693100
6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine
CID 80847112
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80798660

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine (CID 80798245) is N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine is CCNc1cc(N2CCCC2CC)ncn1.
What is the InChIKey of N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine?
The InChIKey is UBYVTUYZLBTDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-10-6-5-7-16(10)12-8-11(13-4-2)14-9-15-12/h8-10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine?
N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80798245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).