4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine

C9H7Cl2N5 — CID 129053112

IUPAC4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine
SMILESCc1nccc(Nc2ncc(Cl)c(Cl)n2)n1
InChIInChI=1S/C9H7Cl2N5/c1-5-12-3-2-7(14-5)15-9-13-4-6(10)8(11)16-9/h2-4H,1H3,(H,12,13,14,15,16)
InChIKeyYGTKQGKGOZOZCP-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.63
Rot. Bonds2

About 4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine

4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine (PubChem CID 129053112) has the molecular formula C9H7Cl2N5 and a molecular weight of 256.10 g/mol. Its IUPAC name is 4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine
PubChem CID129053112
Molecular FormulaC9H7Cl2N5
Molecular Weight256.10 g/mol
Exact Mass255.01
IUPAC Name4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine
SMILESCc1nccc(Nc2ncc(Cl)c(Cl)n2)n1
InChIInChI=1S/C9H7Cl2N5/c1-5-12-3-2-7(14-5)15-9-13-4-6(10)8(11)16-9/h2-4H,1H3,(H,12,13,14,15,16)
InChIKeyYGTKQGKGOZOZCP-UHFFFAOYSA-N
XLogP2.63
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine (CID 129053112) is 4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine is Cc1nccc(Nc2ncc(Cl)c(Cl)n2)n1.
What is the InChIKey of 4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine?
The InChIKey is YGTKQGKGOZOZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5/c1-5-12-3-2-7(14-5)15-9-13-4-6(10)8(11)16-9/h2-4H,1H3,(H,12,13,14,15,16).
What are the key properties of 4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine?
4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine has a molecular weight of 256.10 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 129053112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).