(Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide

C8H10ClN5 — CID 165375797

IUPAC(Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide
SMILESC/N=C(/C=C\N)Nc1nccc(Cl)n1
InChIInChI=1S/C8H10ClN5/c1-11-7(2-4-10)14-8-12-5-3-6(9)13-8/h2-5H,10H2,1H3,(H,11,12,13,14)/b4-2-
InChIKeyPPMZTRUYUCRVMV-RQOWECAXSA-N
MW211.66 g/mol
LogP1.04
Rot. Bonds2

About (Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide

(Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide (PubChem CID 165375797) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is (Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide
PubChem CID165375797
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name(Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide
SMILESC/N=C(/C=C\N)Nc1nccc(Cl)n1
InChIInChI=1S/C8H10ClN5/c1-11-7(2-4-10)14-8-12-5-3-6(9)13-8/h2-5H,10H2,1H3,(H,11,12,13,14)/b4-2-
InChIKeyPPMZTRUYUCRVMV-RQOWECAXSA-N
XLogP1.04
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.04
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 (Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide?
The IUPAC name of (Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide (CID 165375797) is (Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide is C/N=C(/C=C\N)Nc1nccc(Cl)n1.
What is the InChIKey of (Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide?
The InChIKey is PPMZTRUYUCRVMV-RQOWECAXSA-N. The full InChI is InChI=1S/C8H10ClN5/c1-11-7(2-4-10)14-8-12-5-3-6(9)13-8/h2-5H,10H2,1H3,(H,11,12,13,14)/b4-2-.
What are the key properties of (Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide?
(Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide has a molecular weight of 211.66 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide is sourced from PubChem (CID 165375797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).