[6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C16H26N4O — CID 109354624

IUPAC[6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCCCN(C)c1cc(C(=O)N2CCCC(C)C2)ncn1
InChIInChI=1S/C16H26N4O/c1-4-5-8-19(3)15-10-14(17-12-18-15)16(21)20-9-6-7-13(2)11-20/h10,12-13H,4-9,11H2,1-3H3
InChIKeyCNBGRJIUPWMDPP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.59
Rot. Bonds5

About [6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109354624) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109354624
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCCCN(C)c1cc(C(=O)N2CCCC(C)C2)ncn1
InChIInChI=1S/C16H26N4O/c1-4-5-8-19(3)15-10-14(17-12-18-15)16(21)20-9-6-7-13(2)11-20/h10,12-13H,4-9,11H2,1-3H3
InChIKeyCNBGRJIUPWMDPP-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[butyl(methyl)amino]pyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109352986
[4-(dipropylamino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218091
[6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109354186
N-[3-(dimethylamino)propyl]-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109083914
[4-[benzyl(methyl)amino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109211045
(3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109350170
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116
N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523010
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342388
[6-[butyl(methyl)amino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365564
[1-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]pyrazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 29097980

Frequently Asked Questions

What is the IUPAC name of [6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 109354624) is [6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is CCCCN(C)c1cc(C(=O)N2CCCC(C)C2)ncn1.
What is the InChIKey of [6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is CNBGRJIUPWMDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-5-8-19(3)15-10-14(17-12-18-15)16(21)20-9-6-7-13(2)11-20/h10,12-13H,4-9,11H2,1-3H3.
What are the key properties of [6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[butyl(methyl)amino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109354624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).