N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine

C13H22N4 — CID 43675609

IUPACN-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCCC(C)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H22N4/c1-3-11(2)16-12-5-9-17(10-6-12)13-14-7-4-8-15-13/h4,7-8,11-12,16H,3,5-6,9-10H2,1-2H3
InChIKeyDVNCUGKOYFBUBC-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.83
Rot. Bonds4

About N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine

N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 43675609) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID43675609
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCCC(C)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H22N4/c1-3-11(2)16-12-5-9-17(10-6-12)13-14-7-4-8-15-13/h4,7-8,11-12,16H,3,5-6,9-10H2,1-2H3
InChIKeyDVNCUGKOYFBUBC-UHFFFAOYSA-N
XLogP1.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675626
N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43779445
2-(4-butan-2-ylpiperidin-1-yl)pyrimidine
CID 145314724
2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine
CID 156639658
3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62728860
N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675618
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
CID 61172472
(2R)-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propan-1-ol
CID 113260445
2-N-(1-pyridin-2-ylpiperidin-4-yl)propane-1,2-diamine
CID 103387990
2-propan-2-yl-N'-(1-pyrimidin-2-ylpiperidin-4-yl)propane-1,3-diamine
CID 107441426
N-(4-methylcyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675571
2-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62639471

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine (CID 43675609) is N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine is CCC(C)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is DVNCUGKOYFBUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-11(2)16-12-5-9-17(10-6-12)13-14-7-4-8-15-13/h4,7-8,11-12,16H,3,5-6,9-10H2,1-2H3.
What are the key properties of N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine?
N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 43675609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).