4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine

C19H27N7 — CID 112910918

IUPAC4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
SMILESCc1cc(N2CCN(c3ncccn3)CC2)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C19H27N7/c1-15-4-8-25(9-5-15)19-22-16(2)14-17(23-19)24-10-12-26(13-11-24)18-20-6-3-7-21-18/h3,6-7,14-15H,4-5,8-13H2,1-2H3
InChIKeyQSUYSTYIPJFGIJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.14
Rot. Bonds3

About 4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine

4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 112910918) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID112910918
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
SMILESCc1cc(N2CCN(c3ncccn3)CC2)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C19H27N7/c1-15-4-8-25(9-5-15)19-22-16(2)14-17(23-19)24-10-12-26(13-11-24)18-20-6-3-7-21-18/h3,6-7,14-15H,4-5,8-13H2,1-2H3
InChIKeyQSUYSTYIPJFGIJ-UHFFFAOYSA-N
XLogP2.14
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine with MolForge

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Related Compounds

4-methyl-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112909232
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 112910746
4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112923898
8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112910906
2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 112910704
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 56724721
2-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112920315
2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 112875578
4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112909491

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine (CID 112910918) is 4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine is Cc1cc(N2CCN(c3ncccn3)CC2)nc(N2CCC(C)CC2)n1.
What is the InChIKey of 4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is QSUYSTYIPJFGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-15-4-8-25(9-5-15)19-22-16(2)14-17(23-19)24-10-12-26(13-11-24)18-20-6-3-7-21-18/h3,6-7,14-15H,4-5,8-13H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 353.47 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 112910918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).