2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine

C19H27N7 — CID 112875578

IUPAC2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
SMILESCc1nc(N2CCN(c3ncccn3)CC2)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H27N7/c1-15-5-3-8-26(14-15)18-13-17(22-16(2)23-18)24-9-11-25(12-10-24)19-20-6-4-7-21-19/h4,6-7,13,15H,3,5,8-12,14H2,1-2H3
InChIKeyYFWMABKYLWYQCJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.14
Rot. Bonds3

About 2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine

2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 112875578) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID112875578
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
SMILESCc1nc(N2CCN(c3ncccn3)CC2)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C19H27N7/c1-15-5-3-8-26(14-15)18-13-17(22-16(2)23-18)24-9-11-25(12-10-24)19-20-6-4-7-21-19/h4,6-7,13,15H,3,5,8-12,14H2,1-2H3
InChIKeyYFWMABKYLWYQCJ-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 2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine with MolForge

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Related Compounds

4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112923898
N,2-dimethyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 129372098
N-cyclopentyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112868660
4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112909491
4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 112910918
2-methyl-1-[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112876617
[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109160667
2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876539
N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112871546
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875572
4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 112910746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine (CID 112875578) is 2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine is Cc1nc(N2CCN(c3ncccn3)CC2)cc(N2CCCC(C)C2)n1.
What is the InChIKey of 2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is YFWMABKYLWYQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-15-5-3-8-26(14-15)18-13-17(22-16(2)23-18)24-9-11-25(12-10-24)19-20-6-4-7-21-19/h4,6-7,13,15H,3,5,8-12,14H2,1-2H3.
What are the key properties of 2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine?
2-methyl-4-(3-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 2-methyl-4-(3-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 112875578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).