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

C16H24N4O — CID 109362694

IUPAC(4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(C)CC2)cc(N2CCCC2)n1
InChIInChI=1S/C16H24N4O/c1-12-5-9-20(10-6-12)16(21)14-11-15(18-13(2)17-14)19-7-3-4-8-19/h11-12H,3-10H2,1-2H3
InChIKeyBVQWEFCROPFSNS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.26
Rot. Bonds2

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

(4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 109362694) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone
PubChem CID109362694
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC(C)CC2)cc(N2CCCC2)n1
InChIInChI=1S/C16H24N4O/c1-12-5-9-20(10-6-12)16(21)14-11-15(18-13(2)17-14)19-7-3-4-8-19/h11-12H,3-10H2,1-2H3
InChIKeyBVQWEFCROPFSNS-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

[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364088
1-[4-[2-methyl-6-(4-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109364260
[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363677
[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 75538812
[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364296
[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364291
[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 75538862
[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 97458115
[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538840
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109364142
1-[4-[6-(azepane-1-carbonyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109367746
[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109363064

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone (CID 109362694) is (4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone is Cc1nc(C(=O)N2CCC(C)CC2)cc(N2CCCC2)n1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is BVQWEFCROPFSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-5-9-20(10-6-12)16(21)14-11-15(18-13(2)17-14)19-7-3-4-8-19/h11-12H,3-10H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
(4-methylpiperidin-1-yl)-(2-methyl-6-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 (4-methylpiperidin-1-yl)-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 109362694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).