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

C16H26N4 — CID 112885128

IUPAC2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCN(c2ccnc(N3CCCC(C)C3)n2)CC1
InChIInChI=1S/C16H26N4/c1-13-6-10-19(11-7-13)15-5-8-17-16(18-15)20-9-3-4-14(2)12-20/h5,8,13-14H,3-4,6-7,9-12H2,1-2H3
InChIKeyUDGZCTMKJLWXGK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.95
Rot. Bonds2

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

2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine (PubChem CID 112885128) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
PubChem CID112885128
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
SMILESCC1CCN(c2ccnc(N3CCCC(C)C3)n2)CC1
InChIInChI=1S/C16H26N4/c1-13-6-10-19(11-7-13)15-5-8-17-16(18-15)20-9-3-4-14(2)12-20/h5,8,13-14H,3-4,6-7,9-12H2,1-2H3
InChIKeyUDGZCTMKJLWXGK-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112883991
1-[4-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888860
4-(4-benzylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)pyrimidine
CID 112900751
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 112910746
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112901130
2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885063
2-(2-ethylpiperidin-1-yl)-4-(3-methylpiperidin-1-yl)pyrimidine
CID 112900933
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
ethane;2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylpyrimidine
CID 170581392
N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112899803

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine (CID 112885128) is 2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine is CC1CCN(c2ccnc(N3CCCC(C)C3)n2)CC1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine?
The InChIKey is UDGZCTMKJLWXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-13-6-10-19(11-7-13)15-5-8-17-16(18-15)20-9-3-4-14(2)12-20/h5,8,13-14H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine?
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine has a molecular weight of 274.41 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 112885128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).