N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine

C14H24N4 — CID 112884684

IUPACN-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine
SMILESCC(C)CCNc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C14H24N4/c1-12(2)6-8-15-13-7-9-16-14(17-13)18-10-4-3-5-11-18/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,15,16,17)
InChIKeyIHFTUJSINFUOGQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.92
Rot. Bonds5

About N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine

N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112884684) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID112884684
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine
SMILESCC(C)CCNc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C14H24N4/c1-12(2)6-8-15-13-7-9-16-14(17-13)18-10-4-3-5-11-18/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,15,16,17)
InChIKeyIHFTUJSINFUOGQ-UHFFFAOYSA-N
XLogP2.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112883142
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine
CID 112897491
N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942066
3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propanoic acid
CID 122048200
2-(azepan-1-yl)-N-(3-phenylpropyl)pyrimidin-4-amine
CID 112899263
2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894924
2-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112884645
2-(azepan-1-yl)-N-benzylpyrimidin-4-amine
CID 112889457
N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine
CID 112884620
2-(azepan-1-yl)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidin-4-amine
CID 112901497
N-cycloheptyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112884682
N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884053

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine (CID 112884684) is N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine is CC(C)CCNc1ccnc(N2CCCCC2)n1.
What is the InChIKey of N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is IHFTUJSINFUOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12(2)6-8-15-13-7-9-16-14(17-13)18-10-4-3-5-11-18/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,15,16,17).
What are the key properties of N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine?
N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112884684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).