1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea

C19H23N5O — CID 69283982

IUPAC1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea
SMILESCCN(CCCc1cc(-c2ccc(C)c(C)c2)nc(C#N)n1)C(N)=O
InChIInChI=1S/C19H23N5O/c1-4-24(19(21)25)9-5-6-16-11-17(23-18(12-20)22-16)15-8-7-13(2)14(3)10-15/h7-8,10-11H,4-6,9H2,1-3H3,(H2,21,25)
InChIKeyHHEZUGUXQGBBBD-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.97
Rot. Bonds6

About 1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea

1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea (PubChem CID 69283982) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea.

Molecular Properties

Compound Name1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea
PubChem CID69283982
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea
SMILESCCN(CCCc1cc(-c2ccc(C)c(C)c2)nc(C#N)n1)C(N)=O
InChIInChI=1S/C19H23N5O/c1-4-24(19(21)25)9-5-6-16-11-17(23-18(12-20)22-16)15-8-7-13(2)14(3)10-15/h7-8,10-11H,4-6,9H2,1-3H3,(H2,21,25)
InChIKeyHHEZUGUXQGBBBD-UHFFFAOYSA-N
XLogP2.97
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea?
The IUPAC name of 1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea (CID 69283982) is 1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea.
What is the SMILES notation for 1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea?
The canonical SMILES for 1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea is CCN(CCCc1cc(-c2ccc(C)c(C)c2)nc(C#N)n1)C(N)=O.
What is the InChIKey of 1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea?
The InChIKey is HHEZUGUXQGBBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-24(19(21)25)9-5-6-16-11-17(23-18(12-20)22-16)15-8-7-13(2)14(3)10-15/h7-8,10-11H,4-6,9H2,1-3H3,(H2,21,25).
What are the key properties of 1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea?
1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea has a molecular weight of 337.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-cyano-6-(3,4-dimethylphenyl)pyrimidin-4-yl]propyl]-1-ethylurea is sourced from PubChem (CID 69283982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).