1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one

C14H19N5O — CID 80654202

IUPAC1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one
SMILESCCNc1cc(C)nc(Cn2ccn(C3CC3)c2=O)n1
InChIInChI=1S/C14H19N5O/c1-3-15-12-8-10(2)16-13(17-12)9-18-6-7-19(14(18)20)11-4-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,15,16,17)
InChIKeyCTBFJOXPIZSLNC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.56
Rot. Bonds5

About 1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one

1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one (PubChem CID 80654202) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one
PubChem CID80654202
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one
SMILESCCNc1cc(C)nc(Cn2ccn(C3CC3)c2=O)n1
InChIInChI=1S/C14H19N5O/c1-3-15-12-8-10(2)16-13(17-12)9-18-6-7-19(14(18)20)11-4-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,15,16,17)
InChIKeyCTBFJOXPIZSLNC-UHFFFAOYSA-N
XLogP1.56
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one (CID 80654202) is 1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one is CCNc1cc(C)nc(Cn2ccn(C3CC3)c2=O)n1.
What is the InChIKey of 1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one?
The InChIKey is CTBFJOXPIZSLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-15-12-8-10(2)16-13(17-12)9-18-6-7-19(14(18)20)11-4-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,15,16,17).
What are the key properties of 1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one?
1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one is sourced from PubChem (CID 80654202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).