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

C17H28N4 — CID 112910746

IUPAC4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
SMILESCc1cc(N2CCC(C)CC2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C17H28N4/c1-13-6-9-20(10-7-13)16-11-15(3)18-17(19-16)21-8-4-5-14(2)12-21/h11,13-14H,4-10,12H2,1-3H3
InChIKeyUVSBJVCOOOOJRI-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.26
Rot. Bonds2

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

4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine (PubChem CID 112910746) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
PubChem CID112910746
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
SMILESCc1cc(N2CCC(C)CC2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C17H28N4/c1-13-6-9-20(10-7-13)16-11-15(3)18-17(19-16)21-8-4-5-14(2)12-21/h11,13-14H,4-10,12H2,1-3H3
InChIKeyUVSBJVCOOOOJRI-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112909491
4-methyl-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112909232
4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112923898
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
4-methyl-2-(4-methylpiperidin-1-yl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
CID 112910918
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112923357
[6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542020
[6-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107541701
8-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112910906
4-methyl-6-[(3R)-3-methylpiperidin-1-yl]-2-propylpyrimidine
CID 40640900
2-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 112910704

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine (CID 112910746) is 4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine is Cc1cc(N2CCC(C)CC2)nc(N2CCCC(C)C2)n1.
What is the InChIKey of 4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine?
The InChIKey is UVSBJVCOOOOJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13-6-9-20(10-7-13)16-11-15(3)18-17(19-16)21-8-4-5-14(2)12-21/h11,13-14H,4-10,12H2,1-3H3.
What are the key properties of 4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine?
4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine has a molecular weight of 288.44 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 112910746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).