4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine

C13H19F3N4O — CID 133490427

IUPAC4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
SMILESCCOc1cc(N2CCN(C(C)C(F)(F)F)CC2)ncn1
InChIInChI=1S/C13H19F3N4O/c1-3-21-12-8-11(17-9-18-12)20-6-4-19(5-7-20)10(2)13(14,15)16/h8-10H,3-7H2,1-2H3
InChIKeyACDFQYGQVPWZRT-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.95
Rot. Bonds4

About 4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine

4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 133490427) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
PubChem CID133490427
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
SMILESCCOc1cc(N2CCN(C(C)C(F)(F)F)CC2)ncn1
InChIInChI=1S/C13H19F3N4O/c1-3-21-12-8-11(17-9-18-12)20-6-4-19(5-7-20)10(2)13(14,15)16/h8-10H,3-7H2,1-2H3
InChIKeyACDFQYGQVPWZRT-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine
CID 75510031
4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine
CID 99627124
4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 175647933
1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride
CID 66569687
2-propan-2-yloxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrazine
CID 133485480
1-(2-chloroethyl)-4-(6-ethoxypyrimidin-4-yl)-1,4-diazepane
CID 66331346
2-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
CID 66318119
3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 133490367
4-[4-(2-chloroethoxy)piperidin-1-yl]-6-ethoxypyrimidine
CID 82702047
4-(4-propan-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 122282402
cyclopropyl-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133498837
3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol
CID 86795904

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine (CID 133490427) is 4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine is CCOc1cc(N2CCN(C(C)C(F)(F)F)CC2)ncn1.
What is the InChIKey of 4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is ACDFQYGQVPWZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-3-21-12-8-11(17-9-18-12)20-6-4-19(5-7-20)10(2)13(14,15)16/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 304.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133490427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).