4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine

C13H21FN4 — CID 119103485

IUPAC4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCCc1ncnc(N2CCN(C(C)C)CC2)c1F
InChIInChI=1S/C13H21FN4/c1-4-11-12(14)13(16-9-15-11)18-7-5-17(6-8-18)10(2)3/h9-10H,4-8H2,1-3H3
InChIKeyPCBCZWYXLDMIGV-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.71
Rot. Bonds3

About 4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine

4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 119103485) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
PubChem CID119103485
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC Name4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCCc1ncnc(N2CCN(C(C)C)CC2)c1F
InChIInChI=1S/C13H21FN4/c1-4-11-12(14)13(16-9-15-11)18-7-5-17(6-8-18)10(2)3/h9-10H,4-8H2,1-3H3
InChIKeyPCBCZWYXLDMIGV-UHFFFAOYSA-N
XLogP1.71
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Tert-butyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 25128830
2,4-Diethyl-5-fluoropyrimidine
CID 132229551
1-(6-Ethylpyrimidin-4-yl)piperidin-3-amine
CID 54593076
5-iodo-N,N-dimethyl-4-(1-methylpiperidin-2-yl)pyrimidin-2-amine
CID 66509608
5-Iodo-4-(1-isopropylpiperidin-2-yl)-N,N-dimethylpyrimidin-2-amine
CID 66509614
4-Ethyl-6-(piperazin-1-yl)pyrimidine
CID 21473370
1-(6-Ethylpyrimidin-4-yl)piperidin-4-amine
CID 61235863
6-ethyl-4-(4-methyl-1,4-diazepan-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53540248
N-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine
CID 75450201
4-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 96403331
4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine
CID 97207565
2-[Ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
CID 100690449

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine (CID 119103485) is 4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine is CCc1ncnc(N2CCN(C(C)C)CC2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is PCBCZWYXLDMIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-4-11-12(14)13(16-9-15-11)18-7-5-17(6-8-18)10(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 252.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 119103485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).