[3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol

C14H16ClN3O — CID 106197097

IUPAC[3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESCc1nc(Cl)c(C)c(NCc2cccc(CO)c2)n1
InChIInChI=1S/C14H16ClN3O/c1-9-13(15)17-10(2)18-14(9)16-7-11-4-3-5-12(6-11)8-19/h3-6,19H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyVHUKOHCLVXSCPF-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.85
Rot. Bonds4

About [3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol

[3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol (PubChem CID 106197097) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is [3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol
PubChem CID106197097
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name[3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESCc1nc(Cl)c(C)c(NCc2cccc(CO)c2)n1
InChIInChI=1S/C14H16ClN3O/c1-9-13(15)17-10(2)18-14(9)16-7-11-4-3-5-12(6-11)8-19/h3-6,19H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyVHUKOHCLVXSCPF-UHFFFAOYSA-N
XLogP2.85
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol with MolForge

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Related Compounds

[3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 114156936
[3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol
CID 106197129
6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine
CID 63727891
[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231936
[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 65419281
6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 63728239
3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80971647
[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197115
[3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232135
[3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 113232104
4-chloro-6-[(3-fluorophenyl)methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80732223
2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile
CID 131894195

Frequently Asked Questions

What is the IUPAC name of [3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol (CID 106197097) is [3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol is Cc1nc(Cl)c(C)c(NCc2cccc(CO)c2)n1.
What is the InChIKey of [3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
The InChIKey is VHUKOHCLVXSCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-13(15)17-10(2)18-14(9)16-7-11-4-3-5-12(6-11)8-19/h3-6,19H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of [3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
[3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol has a molecular weight of 277.76 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 106197097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).