6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine

C9H9ClN4 — CID 15158240

IUPAC6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine
SMILESCN(c1cc(Cl)ncn1)n1cccc1
InChIInChI=1S/C9H9ClN4/c1-13(14-4-2-3-5-14)9-6-8(10)11-7-12-9/h2-7H,1H3
InChIKeyQQOJGHGDAYRLBU-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.83
Rot. Bonds2

About 6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine

6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine (PubChem CID 15158240) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine
PubChem CID15158240
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine
SMILESCN(c1cc(Cl)ncn1)n1cccc1
InChIInChI=1S/C9H9ClN4/c1-13(14-4-2-3-5-14)9-6-8(10)11-7-12-9/h2-7H,1H3
InChIKeyQQOJGHGDAYRLBU-UHFFFAOYSA-N
XLogP1.83
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine (CID 15158240) is 6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine is CN(c1cc(Cl)ncn1)n1cccc1.
What is the InChIKey of 6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine?
The InChIKey is QQOJGHGDAYRLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-13(14-4-2-3-5-14)9-6-8(10)11-7-12-9/h2-7H,1H3.
What are the key properties of 6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine?
6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine has a molecular weight of 208.65 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-pyrrol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 15158240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).