N-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide

C13H17N5O — CID 134382448

IUPACN-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide
SMILESC=C/C(=N\C)Nc1ncc2c(n1)NC(=O)C(C)C2C
InChIInChI=1S/C13H17N5O/c1-5-10(14-4)16-13-15-6-9-7(2)8(3)12(19)17-11(9)18-13/h5-8H,1H2,2-4H3,(H2,14,15,16,17,18,19)
InChIKeyCKNFBQCBPAWSAM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.79
Rot. Bonds2

About N-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide

N-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide (PubChem CID 134382448) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide
PubChem CID134382448
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide
SMILESC=C/C(=N\C)Nc1ncc2c(n1)NC(=O)C(C)C2C
InChIInChI=1S/C13H17N5O/c1-5-10(14-4)16-13-15-6-9-7(2)8(3)12(19)17-11(9)18-13/h5-8H,1H2,2-4H3,(H2,14,15,16,17,18,19)
InChIKeyCKNFBQCBPAWSAM-UHFFFAOYSA-N
XLogP1.79
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide?
The IUPAC name of N-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide (CID 134382448) is N-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide.
What is the SMILES notation for N-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide?
The canonical SMILES for N-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide is C=C/C(=N\C)Nc1ncc2c(n1)NC(=O)C(C)C2C.
What is the InChIKey of N-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide?
The InChIKey is CKNFBQCBPAWSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-5-10(14-4)16-13-15-6-9-7(2)8(3)12(19)17-11(9)18-13/h5-8H,1H2,2-4H3,(H2,14,15,16,17,18,19).
What are the key properties of N-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide?
N-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide has a molecular weight of 259.31 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)-N'-methylprop-2-enimidamide is sourced from PubChem (CID 134382448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).