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

2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine
CID 156639658
N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675609
1-(1-pyrimidin-2-ylpiperidin-4-yl)propan-2-amine
CID 69067290
N-propan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675626
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
(3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 94816783
N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43779445
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
CID 61172472
3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62728860
3-piperidin-4-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 119827988
2-(3-propan-2-ylazetidin-1-yl)pyrimidine
CID 130933035
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 100907382

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).