1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine

C12H19ClN4 — CID 80936809

IUPAC1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCCc1nc(Cl)cc(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C12H19ClN4/c1-4-11-14-10(13)7-12(15-11)17-6-5-9(8-17)16(2)3/h7,9H,4-6,8H2,1-3H3
InChIKeyBITSJIFZWPWHQZ-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.83
Rot. Bonds3

About 1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine

1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 80936809) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID80936809
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCCc1nc(Cl)cc(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C12H19ClN4/c1-4-11-14-10(13)7-12(15-11)17-6-5-9(8-17)16(2)3/h7,9H,4-6,8H2,1-3H3
InChIKeyBITSJIFZWPWHQZ-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 113401025
4-chloro-2-ethyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80943255
4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine
CID 80936019
3-(6-chloro-2-ethylpyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 80936821
1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol
CID 131048087
(2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 104959793
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 80950779
4-chloro-6-(4,4-diethylpiperidin-1-yl)-2-ethylpyrimidine
CID 80936627
1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine
CID 80546846
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N,N-diethylpyrrolidin-3-amine
CID 80951646
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N,N-dimethylpiperidin-4-amine
CID 80953701
3-(6-chloro-2-ethylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80936724

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine (CID 80936809) is 1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine is CCc1nc(Cl)cc(N2CCC(N(C)C)C2)n1.
What is the InChIKey of 1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is BITSJIFZWPWHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-4-11-14-10(13)7-12(15-11)17-6-5-9(8-17)16(2)3/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine?
1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 254.76 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-ethylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 80936809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).