3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione

C10H11ClN4O2 — CID 80663661

IUPAC3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCc1cc(Cl)nc(CN2C(=O)CN(C)C2=O)n1
InChIInChI=1S/C10H11ClN4O2/c1-6-3-7(11)13-8(12-6)4-15-9(16)5-14(2)10(15)17/h3H,4-5H2,1-2H3
InChIKeySBMITYFKXPUSMV-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.83
Rot. Bonds2

About 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione

3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione (PubChem CID 80663661) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione
PubChem CID80663661
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCc1cc(Cl)nc(CN2C(=O)CN(C)C2=O)n1
InChIInChI=1S/C10H11ClN4O2/c1-6-3-7(11)13-8(12-6)4-15-9(16)5-14(2)10(15)17/h3H,4-5H2,1-2H3
InChIKeySBMITYFKXPUSMV-UHFFFAOYSA-N
XLogP0.83
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione (CID 80663661) is 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione is Cc1cc(Cl)nc(CN2C(=O)CN(C)C2=O)n1.
What is the InChIKey of 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is SBMITYFKXPUSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-6-3-7(11)13-8(12-6)4-15-9(16)5-14(2)10(15)17/h3H,4-5H2,1-2H3.
What are the key properties of 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione?
3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 254.68 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 80663661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).