2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine

C15H19ClN6O2 — CID 11725470

IUPAC2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine
SMILESCN(C)/C(=N/c1c(N)n(C)c(=O)n(C)c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN6O2/c1-20(2)14(18-10-7-5-6-9(16)8-10)19-11-12(17)21(3)15(24)22(4)13(11)23/h5-8H,17H2,1-4H3,(H,18,19)
InChIKeyKGQINANVVCWXGH-UHFFFAOYSA-N
MW350.81 g/mol
LogP0.98
Rot. Bonds2

About 2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine

2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine (PubChem CID 11725470) has the molecular formula C15H19ClN6O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine
PubChem CID11725470
Molecular FormulaC15H19ClN6O2
Molecular Weight350.81 g/mol
Exact Mass350.13
IUPAC Name2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine
SMILESCN(C)/C(=N/c1c(N)n(C)c(=O)n(C)c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN6O2/c1-20(2)14(18-10-7-5-6-9(16)8-10)19-11-12(17)21(3)15(24)22(4)13(11)23/h5-8H,17H2,1-4H3,(H,18,19)
InChIKeyKGQINANVVCWXGH-UHFFFAOYSA-N
XLogP0.98
TPSA97.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine?
The IUPAC name of 2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine (CID 11725470) is 2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine.
What is the SMILES notation for 2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine?
The canonical SMILES for 2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine is CN(C)/C(=N/c1c(N)n(C)c(=O)n(C)c1=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine?
The InChIKey is KGQINANVVCWXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O2/c1-20(2)14(18-10-7-5-6-9(16)8-10)19-11-12(17)21(3)15(24)22(4)13(11)23/h5-8H,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine?
2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine has a molecular weight of 350.81 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-(3-chlorophenyl)-1,1-dimethylguanidine is sourced from PubChem (CID 11725470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).