2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine

C6H6Cl2N4 — CID 147264100

IUPAC2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine
SMILESC=Nc1c(Cl)nc(Cl)nc1NC
InChIInChI=1S/C6H6Cl2N4/c1-9-3-4(7)11-6(8)12-5(3)10-2/h1H2,2H3,(H,10,11,12)
InChIKeyCPDKZXCYKJTXSW-UHFFFAOYSA-N
MW205.05 g/mol
LogP2.16
Rot. Bonds2

About 2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine

2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine (PubChem CID 147264100) has the molecular formula C6H6Cl2N4 and a molecular weight of 205.05 g/mol. Its IUPAC name is 2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine
PubChem CID147264100
Molecular FormulaC6H6Cl2N4
Molecular Weight205.05 g/mol
Exact Mass204.00
IUPAC Name2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine
SMILESC=Nc1c(Cl)nc(Cl)nc1NC
InChIInChI=1S/C6H6Cl2N4/c1-9-3-4(7)11-6(8)12-5(3)10-2/h1H2,2H3,(H,10,11,12)
InChIKeyCPDKZXCYKJTXSW-UHFFFAOYSA-N
XLogP2.16
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine?
The IUPAC name of 2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine (CID 147264100) is 2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine.
What is the SMILES notation for 2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine?
The canonical SMILES for 2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine is C=Nc1c(Cl)nc(Cl)nc1NC.
What is the InChIKey of 2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine?
The InChIKey is CPDKZXCYKJTXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N4/c1-9-3-4(7)11-6(8)12-5(3)10-2/h1H2,2H3,(H,10,11,12).
What are the key properties of 2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine?
2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine has a molecular weight of 205.05 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-methyl-5-(methylideneamino)pyrimidin-4-amine is sourced from PubChem (CID 147264100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).