5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine

C23H41N3 — CID 176826711

IUPAC5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine
SMILESCC(C)(C)CCCc1cnc(N2CCC(CCCC(C)(C)C)CC2)nc1
InChIInChI=1S/C23H41N3/c1-22(2,3)13-7-9-19-11-15-26(16-12-19)21-24-17-20(18-25-21)10-8-14-23(4,5)6/h17-19H,7-16H2,1-6H3
InChIKeyPTGQXRPZYXITRE-UHFFFAOYSA-N
MW359.60 g/mol
LogP6.28
Rot. Bonds7

About 5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine

5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine (PubChem CID 176826711) has the molecular formula C23H41N3 and a molecular weight of 359.60 g/mol. Its IUPAC name is 5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine
PubChem CID176826711
Molecular FormulaC23H41N3
Molecular Weight359.60 g/mol
Exact Mass359.33
IUPAC Name5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine
SMILESCC(C)(C)CCCc1cnc(N2CCC(CCCC(C)(C)C)CC2)nc1
InChIInChI=1S/C23H41N3/c1-22(2,3)13-7-9-19-11-15-26(16-12-19)21-24-17-20(18-25-21)10-8-14-23(4,5)6/h17-19H,7-16H2,1-6H3
InChIKeyPTGQXRPZYXITRE-UHFFFAOYSA-N
XLogP6.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-hexylpyrimidin-2-yl)piperidin-4-amine
CID 103278601
2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine
CID 131998952
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116976316
2-fluoro-4-[3-[1-(5-pentylpyrimidin-2-yl)piperidin-4-yl]propoxy]aniline
CID 77106350
2-[4-(4-pyridin-4-ylbutyl)piperidin-1-yl]pyrimidine
CID 59865110
2-[4-(3,3-dimethylbutan-2-yl)piperidin-1-yl]-5-ethylpyrimidine
CID 131998942
5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine
CID 117224212
[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methanesulfonic acid
CID 86658031
5-(2-methylpropyl)-2-[4-(2-methylpropyl)piperidin-1-yl]pyrimidine
CID 59474375
5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
1-[6-[4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]butyl]-3-pyridinyl]propan-2-one
CID 165404491
[1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 116976091

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine (CID 176826711) is 5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine is CC(C)(C)CCCc1cnc(N2CCC(CCCC(C)(C)C)CC2)nc1.
What is the InChIKey of 5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine?
The InChIKey is PTGQXRPZYXITRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3/c1-22(2,3)13-7-9-19-11-15-26(16-12-19)21-24-17-20(18-25-21)10-8-14-23(4,5)6/h17-19H,7-16H2,1-6H3.
What are the key properties of 5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine?
5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine has a molecular weight of 359.60 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylpentyl)-2-[4-(4,4-dimethylpentyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 176826711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).