5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine

C10H9ClN4 — CID 171334273

IUPAC5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine
SMILESCN(c1ccccn1)c1ncc(Cl)cn1
InChIInChI=1S/C10H9ClN4/c1-15(9-4-2-3-5-12-9)10-13-6-8(11)7-14-10/h2-7H,1H3
InChIKeyJIIKQXFWWOYJTH-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.29
Rot. Bonds2

About 5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine

5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine (PubChem CID 171334273) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine
PubChem CID171334273
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine
SMILESCN(c1ccccn1)c1ncc(Cl)cn1
InChIInChI=1S/C10H9ClN4/c1-15(9-4-2-3-5-12-9)10-13-6-8(11)7-14-10/h2-7H,1H3
InChIKeyJIIKQXFWWOYJTH-UHFFFAOYSA-N
XLogP2.29
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine (CID 171334273) is 5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine is CN(c1ccccn1)c1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is JIIKQXFWWOYJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4/c1-15(9-4-2-3-5-12-9)10-13-6-8(11)7-14-10/h2-7H,1H3.
What are the key properties of 5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine?
5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 220.66 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 171334273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).