N'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide

C10H14Cl2N6 — CID 11984067

IUPACN'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(Cl)c(/N=C/N(C)C)c(Cl)n1
InChIInChI=1S/C10H14Cl2N6/c1-17(2)5-13-7-8(11)15-10(16-9(7)12)14-6-18(3)4/h5-6H,1-4H3/b13-5+,14-6+
InChIKeyKTKOGYHDCBXJIS-ACFHMISVSA-N
MW289.17 g/mol
LogP2.23
Rot. Bonds4

About N'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide

N'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide (PubChem CID 11984067) has the molecular formula C10H14Cl2N6 and a molecular weight of 289.17 g/mol. Its IUPAC name is N'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide
PubChem CID11984067
Molecular FormulaC10H14Cl2N6
Molecular Weight289.17 g/mol
Exact Mass288.07
IUPAC NameN'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(Cl)c(/N=C/N(C)C)c(Cl)n1
InChIInChI=1S/C10H14Cl2N6/c1-17(2)5-13-7-8(11)15-10(16-9(7)12)14-6-18(3)4/h5-6H,1-4H3/b13-5+,14-6+
InChIKeyKTKOGYHDCBXJIS-ACFHMISVSA-N
XLogP2.23
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
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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Related Compounds

4,5-Pyrimidinediamine, 6-chloro-
CID 78010
2,5-Diamino-4,6-dichloropyrimidine
CID 301039
5-Amino-4,6-dichloropyrimidine
CID 79434
4-Chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 1085197
6-chloro-N4-methylpyrimidine-4,5-diamine
CID 308477
6-Chloropyrimidine-2,4,5-triamine
CID 500505
6-Chloro-N4,N4-dimethylpyrimidine-4,5-diamine
CID 768955
4,6-Dichloro-N-methylpyrimidin-5-amine
CID 250274
4,5-Diamino-2,6-dichloropyrimidine
CID 240043
6-chloropyrimidine-4,5-di(15N)amine
CID 11040831
4,6-dichloro-N5-methylpyrimidine-2,5-diamine
CID 58349378
4,6-Dichloro-5-isocyanatopyrimidine
CID 12525405

Frequently Asked Questions

What is the IUPAC name of N'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide (CID 11984067) is N'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1nc(Cl)c(/N=C/N(C)C)c(Cl)n1.
What is the InChIKey of N'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
The InChIKey is KTKOGYHDCBXJIS-ACFHMISVSA-N. The full InChI is InChI=1S/C10H14Cl2N6/c1-17(2)5-13-7-8(11)15-10(16-9(7)12)14-6-18(3)4/h5-6H,1-4H3/b13-5+,14-6+.
What are the key properties of N'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
N'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide has a molecular weight of 289.17 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4,6-dichloro-2-[(E)-dimethylaminomethylideneamino]pyrimidin-5-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 11984067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).