N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide

C13H15N5O2 — CID 13081759

IUPACN-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide
SMILESCn1c(NN/C=N/c2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H15N5O2/c1-17-11(8-12(19)18(2)13(17)20)16-15-9-14-10-6-4-3-5-7-10/h3-9,16H,1-2H3,(H,14,15)
InChIKeyBYQNNLRTIMWFGZ-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.36
Rot. Bonds4

About N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide

N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide (PubChem CID 13081759) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide
PubChem CID13081759
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide
SMILESCn1c(NN/C=N/c2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H15N5O2/c1-17-11(8-12(19)18(2)13(17)20)16-15-9-14-10-6-4-3-5-7-10/h3-9,16H,1-2H3,(H,14,15)
InChIKeyBYQNNLRTIMWFGZ-UHFFFAOYSA-N
XLogP0.36
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.36
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide?
The IUPAC name of N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide (CID 13081759) is N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide.
What is the SMILES notation for N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide?
The canonical SMILES for N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide is Cn1c(NN/C=N/c2ccccc2)cc(=O)n(C)c1=O.
What is the InChIKey of N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide?
The InChIKey is BYQNNLRTIMWFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-17-11(8-12(19)18(2)13(17)20)16-15-9-14-10-6-4-3-5-7-10/h3-9,16H,1-2H3,(H,14,15).
What are the key properties of N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide?
N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide has a molecular weight of 273.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide is sourced from PubChem (CID 13081759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).