4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine

C19H25FN6 — CID 154882623

IUPAC4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCC(C)(C)c1cc(N2CCN(c3ncncc3F)CC2)nc(C2CC2)n1
InChIInChI=1S/C19H25FN6/c1-19(2,3)15-10-16(24-17(23-15)13-4-5-13)25-6-8-26(9-7-25)18-14(20)11-21-12-22-18/h10-13H,4-9H2,1-3H3
InChIKeyXKTUYKYMXRSGSZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.91
Rot. Bonds3

About 4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine

4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine (PubChem CID 154882623) has the molecular formula C19H25FN6 and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine
PubChem CID154882623
Molecular FormulaC19H25FN6
Molecular Weight356.45 g/mol
Exact Mass356.21
IUPAC Name4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCC(C)(C)c1cc(N2CCN(c3ncncc3F)CC2)nc(C2CC2)n1
InChIInChI=1S/C19H25FN6/c1-19(2,3)15-10-16(24-17(23-15)13-4-5-13)25-6-8-26(9-7-25)18-14(20)11-21-12-22-18/h10-13H,4-9H2,1-3H3
InChIKeyXKTUYKYMXRSGSZ-UHFFFAOYSA-N
XLogP2.91
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(6-tert-butyl-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 154882754
4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 154883377
1-[4-(6-tert-butyl-2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propan-1-ol
CID 69340507
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 154829246
4-(4-cyclopropylsulfonylpiperazin-1-yl)-5-fluoropyrimidine
CID 175648838
5-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 154582485
4-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 154829274
6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
CID 154580454
2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 80955969
4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 155798905
8-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]imidazo[1,2-a]pyrazine
CID 166605053
3-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 139029285

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine (CID 154882623) is 4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine is CC(C)(C)c1cc(N2CCN(c3ncncc3F)CC2)nc(C2CC2)n1.
What is the InChIKey of 4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The InChIKey is XKTUYKYMXRSGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6/c1-19(2,3)15-10-16(24-17(23-15)13-4-5-13)25-6-8-26(9-7-25)18-14(20)11-21-12-22-18/h10-13H,4-9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine?
4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine has a molecular weight of 356.45 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-cyclopropyl-6-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 154882623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).