4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide

C19H31N7O2 — CID 54259998

IUPAC4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide
SMILESC/N=C(\C)Nc1nc(=O)n(C)c(C)c1C.Cc1c(N(C)C)nc(=O)n(C)c1C
InChIInChI=1S/C10H16N4O.C9H15N3O/c1-6-7(2)14(5)10(15)13-9(6)12-8(3)11-4;1-6-7(2)12(5)9(13)10-8(6)11(3)4/h1-5H3,(H,11,12,13,15);1-5H3
InChIKeyRCVFWIAGVPZUEV-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.32
Rot. Bonds2

About 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide

4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide (PubChem CID 54259998) has the molecular formula C19H31N7O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide.

Molecular Properties

Compound Name4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide
PubChem CID54259998
Molecular FormulaC19H31N7O2
Molecular Weight389.50 g/mol
Exact Mass389.25
IUPAC Name4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide
SMILESC/N=C(\C)Nc1nc(=O)n(C)c(C)c1C.Cc1c(N(C)C)nc(=O)n(C)c1C
InChIInChI=1S/C10H16N4O.C9H15N3O/c1-6-7(2)14(5)10(15)13-9(6)12-8(3)11-4;1-6-7(2)12(5)9(13)10-8(6)11(3)4/h1-5H3,(H,11,12,13,15);1-5H3
InChIKeyRCVFWIAGVPZUEV-UHFFFAOYSA-N
XLogP1.32
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide?
The IUPAC name of 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide (CID 54259998) is 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide.
What is the SMILES notation for 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide?
The canonical SMILES for 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide is C/N=C(\C)Nc1nc(=O)n(C)c(C)c1C.Cc1c(N(C)C)nc(=O)n(C)c1C.
What is the InChIKey of 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide?
The InChIKey is RCVFWIAGVPZUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.C9H15N3O/c1-6-7(2)14(5)10(15)13-9(6)12-8(3)11-4;1-6-7(2)12(5)9(13)10-8(6)11(3)4/h1-5H3,(H,11,12,13,15);1-5H3.
What are the key properties of 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide?
4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide has a molecular weight of 389.50 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one;N'-methyl-N-(1,5,6-trimethyl-2-oxopyrimidin-4-yl)ethanimidamide is sourced from PubChem (CID 54259998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).