[3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol

C13H14ClN3O — CID 114156936

IUPAC[3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESCc1c(Cl)ncnc1NCc1cccc(CO)c1
InChIInChI=1S/C13H14ClN3O/c1-9-12(14)16-8-17-13(9)15-6-10-3-2-4-11(5-10)7-18/h2-5,8,18H,6-7H2,1H3,(H,15,16,17)
InChIKeyGZCQDSCZWOJDFN-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.54
Rot. Bonds4

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

[3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol (PubChem CID 114156936) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is [3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
PubChem CID114156936
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name[3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
SMILESCc1c(Cl)ncnc1NCc1cccc(CO)c1
InChIInChI=1S/C13H14ClN3O/c1-9-12(14)16-8-17-13(9)15-6-10-3-2-4-11(5-10)7-18/h2-5,8,18H,6-7H2,1H3,(H,15,16,17)
InChIKeyGZCQDSCZWOJDFN-UHFFFAOYSA-N
XLogP2.54
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

[3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197097
[3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 113232104
6-chloro-5-methyl-N-[(3-nitrophenyl)methyl]pyrimidin-4-amine
CID 114156694
[3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol
CID 106197129
[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol
CID 154735606
6-chloro-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729876
[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114599421
[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 65419281
[3-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231800
[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 79718432
[3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114836485
5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193488

Frequently Asked Questions

What is the IUPAC name of [3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol (CID 114156936) is [3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol is Cc1c(Cl)ncnc1NCc1cccc(CO)c1.
What is the InChIKey of [3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
The InChIKey is GZCQDSCZWOJDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-12(14)16-8-17-13(9)15-6-10-3-2-4-11(5-10)7-18/h2-5,8,18H,6-7H2,1H3,(H,15,16,17).
What are the key properties of [3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol?
[3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol has a molecular weight of 263.73 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 114156936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).