5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine

C12H14ClN5O — CID 102951299

IUPAC5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine
SMILESCNC(c1cc(OC)ncn1)c1cc(Cl)cnc1N
InChIInChI=1S/C12H14ClN5O/c1-15-11(8-3-7(13)5-16-12(8)14)9-4-10(19-2)18-6-17-9/h3-6,11,15H,1-2H3,(H2,14,16)
InChIKeyIWLFXSUJEXUERD-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.42
Rot. Bonds4

About 5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine

5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine (PubChem CID 102951299) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine
PubChem CID102951299
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine
SMILESCNC(c1cc(OC)ncn1)c1cc(Cl)cnc1N
InChIInChI=1S/C12H14ClN5O/c1-15-11(8-3-7(13)5-16-12(8)14)9-4-10(19-2)18-6-17-9/h3-6,11,15H,1-2H3,(H2,14,16)
InChIKeyIWLFXSUJEXUERD-UHFFFAOYSA-N
XLogP1.42
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine
CID 102951022
5-chloro-3-[(3,4-dichlorophenyl)-(methylamino)methyl]pyridin-2-amine
CID 81492008
5-chloro-3-[2-methoxy-2-methyl-1-(methylamino)propyl]pyridin-2-amine
CID 79198131
1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 102951074
1-(2,6-difluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylmethanamine
CID 102951139
3-[(5-bromo-2-fluorophenyl)-(methylamino)methyl]-5-chloropyridin-2-amine
CID 114894706
3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine
CID 79615951
[(3-chlorothiophen-2-yl)-(6-methoxypyrimidin-4-yl)methyl]hydrazine
CID 107362215
1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine
CID 55273513
5-chloro-3-[hydrazinyl-(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 105258421
5-chloro-3-[2-ethoxy-1-(methylamino)propyl]pyridin-2-amine
CID 64539853
(2R)-2-amino-2-(2-amino-5-chloro-3-pyridinyl)ethanol
CID 130710939

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine (CID 102951299) is 5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine is CNC(c1cc(OC)ncn1)c1cc(Cl)cnc1N.
What is the InChIKey of 5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine?
The InChIKey is IWLFXSUJEXUERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-15-11(8-3-7(13)5-16-12(8)14)9-4-10(19-2)18-6-17-9/h3-6,11,15H,1-2H3,(H2,14,16).
What are the key properties of 5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine?
5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine has a molecular weight of 279.73 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(6-methoxypyrimidin-4-yl)-(methylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 102951299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).