3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea

C17H23N7O — CID 166308482

IUPAC3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea
SMILESCc1cnc(C)c(NC(=O)N(C)C2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C17H23N7O/c1-12-11-20-13(2)15(21-12)22-17(25)23(3)14-5-9-24(10-6-14)16-18-7-4-8-19-16/h4,7-8,11,14H,5-6,9-10H2,1-3H3,(H,21,22,25)
InChIKeyNZMMBSMKQQJOMX-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.02
Rot. Bonds3

About 3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea

3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea (PubChem CID 166308482) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea
PubChem CID166308482
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea
SMILESCc1cnc(C)c(NC(=O)N(C)C2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C17H23N7O/c1-12-11-20-13(2)15(21-12)22-17(25)23(3)14-5-9-24(10-6-14)16-18-7-4-8-19-16/h4,7-8,11,14H,5-6,9-10H2,1-3H3,(H,21,22,25)
InChIKeyNZMMBSMKQQJOMX-UHFFFAOYSA-N
XLogP2.02
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78782354
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
1-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1,3,3-trimethylurea
CID 166603397
N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylacetamide
CID 154582448
1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 20782286
N-methyl-N-[(4R)-1-pyrimidin-2-ylazepan-4-yl]methanesulfonamide
CID 95811456
1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 20782294
1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea
CID 91648209
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 170788464
1-methyl-1-(1-pyridin-4-ylpiperidin-4-yl)-3-(2-pyridin-2-ylsulfanyl-4-pyridinyl)urea
CID 167842637

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea (CID 166308482) is 3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea is Cc1cnc(C)c(NC(=O)N(C)C2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of 3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The InChIKey is NZMMBSMKQQJOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-12-11-20-13(2)15(21-12)22-17(25)23(3)14-5-9-24(10-6-14)16-18-7-4-8-19-16/h4,7-8,11,14H,5-6,9-10H2,1-3H3,(H,21,22,25).
What are the key properties of 3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea has a molecular weight of 341.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethylpyrazin-2-yl)-1-methyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 166308482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).