2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine

C16H21N5 — CID 110096341

IUPAC2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
SMILESCc1cncc(C2CCCN(Cc3ccnc(C)n3)C2)n1
InChIInChI=1S/C16H21N5/c1-12-8-17-9-16(19-12)14-4-3-7-21(10-14)11-15-5-6-18-13(2)20-15/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3
InChIKeyKNBBPCJWXXZFPY-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.26
Rot. Bonds3

About 2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine

2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine (PubChem CID 110096341) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
PubChem CID110096341
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
SMILESCc1cncc(C2CCCN(Cc3ccnc(C)n3)C2)n1
InChIInChI=1S/C16H21N5/c1-12-8-17-9-16(19-12)14-4-3-7-21(10-14)11-15-5-6-18-13(2)20-15/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3
InChIKeyKNBBPCJWXXZFPY-UHFFFAOYSA-N
XLogP2.26
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrazine
CID 110259175
5-methyl-3-[[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 125012518
2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124949798
2-methyl-6-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrazine
CID 127246127
2-[(2-methylpyrimidin-4-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79940082
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435
2-methyl-6-[(3S)-1-phenylpiperidin-3-yl]pyrazine
CID 125020783
2-(5-methylpyrazin-2-yl)-4-[(2-methylpyrimidin-4-yl)methyl]morpholine
CID 110103266
1-methyl-2-[[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]benzimidazole
CID 124941136
2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine
CID 95816201
2-methyl-4-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidine
CID 110115044
4,6-dimethyl-2-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]pyrimidine
CID 124959792

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine (CID 110096341) is 2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine is Cc1cncc(C2CCCN(Cc3ccnc(C)n3)C2)n1.
What is the InChIKey of 2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is KNBBPCJWXXZFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-8-17-9-16(19-12)14-4-3-7-21(10-14)11-15-5-6-18-13(2)20-15/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3.
What are the key properties of 2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine?
2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 283.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 110096341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).