[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C17H27N5O — CID 109325914

IUPAC[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C17H27N5O/c1-13-5-4-6-22(12-13)17-18-14(2)11-15(19-17)16(23)21-9-7-20(3)8-10-21/h11,13H,4-10,12H2,1-3H3
InChIKeyQYMKTLKSNVQGMN-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.41
Rot. Bonds2

About [6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109325914) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is [6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109325914
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C17H27N5O/c1-13-5-4-6-22(12-13)17-18-14(2)11-15(19-17)16(23)21-9-7-20(3)8-10-21/h11,13H,4-10,12H2,1-3H3
InChIKeyQYMKTLKSNVQGMN-UHFFFAOYSA-N
XLogP1.41
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[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
(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109321612
(4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109302257
6-methyl-2-(3-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319530
[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324359
[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)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109333992
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109319726
[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310659
N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109333957

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 109325914) is [6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(C)CC2)nc(N2CCCC(C)C2)n1.
What is the InChIKey of [6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QYMKTLKSNVQGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-13-5-4-6-22(12-13)17-18-14(2)11-15(19-17)16(23)21-9-7-20(3)8-10-21/h11,13H,4-10,12H2,1-3H3.
What are the key properties of [6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 317.44 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109325914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).