1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine

C13H21FN4 — CID 112748054

IUPAC1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine
SMILESCCc1ncnc(N2CCCC2CC(C)N)c1F
InChIInChI=1S/C13H21FN4/c1-3-11-12(14)13(17-8-16-11)18-6-4-5-10(18)7-9(2)15/h8-10H,3-7,15H2,1-2H3
InChIKeyNWBPKOVRKPRQIS-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.88
Rot. Bonds4

About 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine

1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine (PubChem CID 112748054) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine
PubChem CID112748054
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC Name1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine
SMILESCCc1ncnc(N2CCCC2CC(C)N)c1F
InChIInChI=1S/C13H21FN4/c1-3-11-12(14)13(17-8-16-11)18-6-4-5-10(18)7-9(2)15/h8-10H,3-7,15H2,1-2H3
InChIKeyNWBPKOVRKPRQIS-UHFFFAOYSA-N
XLogP1.88
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 75438009
(2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 99714419
[1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine
CID 114045745
4-ethyl-5-fluoro-6-[3-(2-methylpropyl)piperidin-1-yl]pyrimidine
CID 133420014
4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine
CID 124885111
5-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80797287
1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one
CID 133420422
1-[1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-2-amine
CID 112748048
[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 103865791
4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine
CID 133420970
4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19140549
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19136715

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine?
The IUPAC name of 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine (CID 112748054) is 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine is CCc1ncnc(N2CCCC2CC(C)N)c1F.
What is the InChIKey of 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine?
The InChIKey is NWBPKOVRKPRQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-3-11-12(14)13(17-8-16-11)18-6-4-5-10(18)7-9(2)15/h8-10H,3-7,15H2,1-2H3.
What are the key properties of 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine?
1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine has a molecular weight of 252.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine is sourced from PubChem (CID 112748054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).