1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine

C14H24N4 — CID 55114152

IUPAC1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(N2CCCCC2)n1
InChIInChI=1S/C14H24N4/c1-3-12(15)10-13-9-11(2)16-14(17-13)18-7-5-4-6-8-18/h9,12H,3-8,10,15H2,1-2H3
InChIKeyDHXRLBHPEGSHMY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.06
Rot. Bonds4

About 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine

1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine (PubChem CID 55114152) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine
PubChem CID55114152
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(N2CCCCC2)n1
InChIInChI=1S/C14H24N4/c1-3-12(15)10-13-9-11(2)16-14(17-13)18-7-5-4-6-8-18/h9,12H,3-8,10,15H2,1-2H3
InChIKeyDHXRLBHPEGSHMY-UHFFFAOYSA-N
XLogP2.06
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 62745059
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine
CID 62745750
4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 62745550
2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022940
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114190
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
1-(2-pyrrolidin-1-ylpyrimidin-5-yl)butan-2-amine
CID 62757918
1-(2-tert-butyl-6-methylpyrimidin-4-yl)butan-2-amine
CID 62745584
2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine
CID 145141912
N-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190895
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine?
The IUPAC name of 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine (CID 55114152) is 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine.
What is the SMILES notation for 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine?
The canonical SMILES for 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine is CCC(N)Cc1cc(C)nc(N2CCCCC2)n1.
What is the InChIKey of 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine?
The InChIKey is DHXRLBHPEGSHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-12(15)10-13-9-11(2)16-14(17-13)18-7-5-4-6-8-18/h9,12H,3-8,10,15H2,1-2H3.
What are the key properties of 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine?
1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine is sourced from PubChem (CID 55114152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).