2-(4-butan-2-ylpiperidin-1-yl)pyrimidine

C13H21N3 — CID 145314724

IUPAC2-(4-butan-2-ylpiperidin-1-yl)pyrimidine
SMILESCCC(C)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H21N3/c1-3-11(2)12-5-9-16(10-6-12)13-14-7-4-8-15-13/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3
InChIKeyFQHCUGWWQSDQDQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.74
Rot. Bonds3

About 2-(4-butan-2-ylpiperidin-1-yl)pyrimidine

2-(4-butan-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 145314724) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperidin-1-yl)pyrimidine
PubChem CID145314724
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(4-butan-2-ylpiperidin-1-yl)pyrimidine
SMILESCCC(C)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H21N3/c1-3-11(2)12-5-9-16(10-6-12)13-14-7-4-8-15-13/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3
InChIKeyFQHCUGWWQSDQDQ-UHFFFAOYSA-N
XLogP2.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-Dipropylamino-ethyl)-cyclohexyl]-pyrimidin-2-yl-amine
CID 10756932
2-(Piperidin-1-yl)pyrimidine
CID 11446518
2-[4-(Propan-2-yl)piperazin-1-yl]pyrimidine
CID 13375504
1-(Pyrimidin-2-yl)piperidin-4-amine
CID 4778233
2-[[1-(Cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride
CID 45265071
2-Pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3233309
3-(Pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecane
CID 3234323
1-(2-Pyrimidinyl)-4-piperidinemethanol
CID 2776521
2-[4-(4-Methylcyclohexyl)piperazin-1-yl]pyrimidine
CID 784284
(5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 3233093
2-Pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 3234830
Pyrimidin-2-ylsulfanyl piperidine-1-carbodithioate
CID 145949724

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-(4-butan-2-ylpiperidin-1-yl)pyrimidine (CID 145314724) is 2-(4-butan-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-butan-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-(4-butan-2-ylpiperidin-1-yl)pyrimidine is CCC(C)C1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is FQHCUGWWQSDQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-11(2)12-5-9-16(10-6-12)13-14-7-4-8-15-13/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylpiperidin-1-yl)pyrimidine?
2-(4-butan-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 219.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 145314724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).