(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone

C16H24N4O — CID 109321612

IUPAC(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)nc(N2CCCC2)n1
InChIInChI=1S/C16H24N4O/c1-12-6-5-9-20(11-12)15(21)14-10-13(2)17-16(18-14)19-7-3-4-8-19/h10,12H,3-9,11H2,1-2H3
InChIKeySGDFKFGQEXQJDP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.26
Rot. Bonds2

About (3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone

(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 109321612) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
PubChem CID109321612
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)nc(N2CCCC2)n1
InChIInChI=1S/C16H24N4O/c1-12-6-5-9-20(11-12)15(21)14-10-13(2)17-16(18-14)19-7-3-4-8-19/h10,12H,3-9,11H2,1-2H3
InChIKeySGDFKFGQEXQJDP-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322434
[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109332039
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325914
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324420
ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109332006
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109319726
6-methyl-2-(3-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319530
(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109334084
[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 92628235
azepan-1-yl-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109332175
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112909491

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone (CID 109321612) is (3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone is Cc1cc(C(=O)N2CCCC(C)C2)nc(N2CCCC2)n1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is SGDFKFGQEXQJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-6-5-9-20(11-12)15(21)14-10-13(2)17-16(18-14)19-7-3-4-8-19/h10,12H,3-9,11H2,1-2H3.
What are the key properties of (3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 109321612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).