[6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C16H26N4O — CID 109354186

IUPAC[6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC(C)CCNc1cc(C(=O)N2CCCC(C)C2)ncn1
InChIInChI=1S/C16H26N4O/c1-12(2)6-7-17-15-9-14(18-11-19-15)16(21)20-8-4-5-13(3)10-20/h9,11-13H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyRXPMFAAYPUXVAZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.81
Rot. Bonds5

About [6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109354186) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109354186
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC(C)CCNc1cc(C(=O)N2CCCC(C)C2)ncn1
InChIInChI=1S/C16H26N4O/c1-12(2)6-7-17-15-9-14(18-11-19-15)16(21)20-8-4-5-13(3)10-20/h9,11-13H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyRXPMFAAYPUXVAZ-UHFFFAOYSA-N
XLogP2.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylpiperidin-1-yl)-[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109350170
[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109355144
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
[6-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109351298
[6-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109348047
(4-methylpiperidin-1-yl)-[6-(propylamino)pyrimidin-4-yl]methanone
CID 109338249
[6-(3-methylbutylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109352932
ethyl 4-[[6-(3-methylbutylamino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109352758
(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109111042
methyl 3-[[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109355205
[6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341012
[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341627

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 109354186) is [6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is CC(C)CCNc1cc(C(=O)N2CCCC(C)C2)ncn1.
What is the InChIKey of [6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is RXPMFAAYPUXVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)6-7-17-15-9-14(18-11-19-15)16(21)20-8-4-5-13(3)10-20/h9,11-13H,4-8,10H2,1-3H3,(H,17,18,19).
What are the key properties of [6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylbutylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109354186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).