2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine

C6H7ClFN3O — CID 123251881

IUPAC2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cl)nc(OC)c1F
InChIInChI=1S/C6H7ClFN3O/c1-9-4-3(8)5(12-2)11-6(7)10-4/h1-2H3,(H,9,10,11)
InChIKeyMOLGUDBWVXFJJV-UHFFFAOYSA-N
MW191.59 g/mol
LogP1.32
Rot. Bonds2

About 2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine

2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine (PubChem CID 123251881) has the molecular formula C6H7ClFN3O and a molecular weight of 191.59 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine
PubChem CID123251881
Molecular FormulaC6H7ClFN3O
Molecular Weight191.59 g/mol
Exact Mass191.03
IUPAC Name2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cl)nc(OC)c1F
InChIInChI=1S/C6H7ClFN3O/c1-9-4-3(8)5(12-2)11-6(7)10-4/h1-2H3,(H,9,10,11)
InChIKeyMOLGUDBWVXFJJV-UHFFFAOYSA-N
XLogP1.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.59
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5,6-trichloro-N-methylpyrimidin-4-amine
CID 20705355
5-fluoro-2,4,6-trimethoxypyrimidine
CID 71349957
2-chloro-N,5,6-trimethylpyrimidin-4-amine
CID 82460587
2,4-dichloro-6-methoxy-5-methylpyrimidine
CID 118141128
2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine
CID 46885009
3,5-difluoro-2,6-dimethoxypyridin-4-amine
CID 170648727
methyl 6-chloro-3-methoxy-5-(methylamino)pyrazine-2-carboxylate
CID 21418990
2-chloro-8-fluoro-N,5-dimethylquinazolin-4-amine
CID 114693468
6-methoxy-4-N-methylpyrimidine-2,4,5-triamine
CID 89207307
2,5-dichloro-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine
CID 135374250
2-chloro-6-ethoxy-7-methoxy-N-methylquinazolin-4-amine
CID 114693438
2-chloro-5-(4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 93214424

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine (CID 123251881) is 2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine is CNc1nc(Cl)nc(OC)c1F.
What is the InChIKey of 2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine?
The InChIKey is MOLGUDBWVXFJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClFN3O/c1-9-4-3(8)5(12-2)11-6(7)10-4/h1-2H3,(H,9,10,11).
What are the key properties of 2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine?
2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine has a molecular weight of 191.59 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-6-methoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 123251881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).