N-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine

C13H17FN6S — CID 80757677

IUPACN-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C13H17FN6S/c1-2-15-12-17-9-10(14)11(18-12)19-4-6-20(7-5-19)13-16-3-8-21-13/h3,8-9H,2,4-7H2,1H3,(H,15,17,18)
InChIKeyHDSOPCNLPBCBSN-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.83
Rot. Bonds4

About N-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine

N-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 80757677) has the molecular formula C13H17FN6S and a molecular weight of 308.39 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID80757677
Molecular FormulaC13H17FN6S
Molecular Weight308.39 g/mol
Exact Mass308.12
IUPAC NameN-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C13H17FN6S/c1-2-15-12-17-9-10(14)11(18-12)19-4-6-20(7-5-19)13-16-3-8-21-13/h3,8-9H,2,4-7H2,1H3,(H,15,17,18)
InChIKeyHDSOPCNLPBCBSN-UHFFFAOYSA-N
XLogP1.83
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine (CID 80757677) is N-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine is CCNc1ncc(F)c(N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is HDSOPCNLPBCBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6S/c1-2-15-12-17-9-10(14)11(18-12)19-4-6-20(7-5-19)13-16-3-8-21-13/h3,8-9H,2,4-7H2,1H3,(H,15,17,18).
What are the key properties of N-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
N-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 308.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80757677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).