1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea

C14H16N8O — CID 166221031

IUPAC1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea
SMILESCc1cc(C)nc(-n2nccc2NC(=O)NCc2ncc[nH]2)n1
InChIInChI=1S/C14H16N8O/c1-9-7-10(2)20-13(19-9)22-12(3-4-18-22)21-14(23)17-8-11-15-5-6-16-11/h3-7H,8H2,1-2H3,(H,15,16)(H2,17,21,23)
InChIKeyOYOLUNLDCMSVPB-UHFFFAOYSA-N
MW312.34 g/mol
LogP1.32
Rot. Bonds4

About 1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea

1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea (PubChem CID 166221031) has the molecular formula C14H16N8O and a molecular weight of 312.34 g/mol. Its IUPAC name is 1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea
PubChem CID166221031
Molecular FormulaC14H16N8O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea
SMILESCc1cc(C)nc(-n2nccc2NC(=O)NCc2ncc[nH]2)n1
InChIInChI=1S/C14H16N8O/c1-9-7-10(2)20-13(19-9)22-12(3-4-18-22)21-14(23)17-8-11-15-5-6-16-11/h3-7H,8H2,1-2H3,(H,15,16)(H2,17,21,23)
InChIKeyOYOLUNLDCMSVPB-UHFFFAOYSA-N
XLogP1.32
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea?
The IUPAC name of 1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea (CID 166221031) is 1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea is Cc1cc(C)nc(-n2nccc2NC(=O)NCc2ncc[nH]2)n1.
What is the InChIKey of 1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea?
The InChIKey is OYOLUNLDCMSVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O/c1-9-7-10(2)20-13(19-9)22-12(3-4-18-22)21-14(23)17-8-11-15-5-6-16-11/h3-7H,8H2,1-2H3,(H,15,16)(H2,17,21,23).
What are the key properties of 1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea?
1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea has a molecular weight of 312.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-3-(1H-imidazol-2-ylmethyl)urea is sourced from PubChem (CID 166221031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).