[3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol

C14H17N3O3 — CID 115355459

IUPAC[3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol
SMILESCOc1cc(OC)nc(NCc2cccc(CO)c2)n1
InChIInChI=1S/C14H17N3O3/c1-19-12-7-13(20-2)17-14(16-12)15-8-10-4-3-5-11(6-10)9-18/h3-7,18H,8-9H2,1-2H3,(H,15,16,17)
InChIKeySPQDHTPFBBKKOQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.60
Rot. Bonds6

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

[3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol (PubChem CID 115355459) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol
PubChem CID115355459
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol
SMILESCOc1cc(OC)nc(NCc2cccc(CO)c2)n1
InChIInChI=1S/C14H17N3O3/c1-19-12-7-13(20-2)17-14(16-12)15-8-10-4-3-5-11(6-10)9-18/h3-7,18H,8-9H2,1-2H3,(H,15,16,17)
InChIKeySPQDHTPFBBKKOQ-UHFFFAOYSA-N
XLogP1.60
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol 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

[3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232135
4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115355071
N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 65028280
[3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]phenyl]methanol
CID 134698233
[3-[(4-amino-3-methoxyanilino)methyl]phenyl]methanol
CID 107231702
[3-[(2-amino-5-methoxyanilino)methyl]phenyl]methanol
CID 107231944
N-[[3-(hydroxymethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 63310970
[3-(6-methoxypyridazin-3-yl)phenyl]methanol
CID 53425314
[3-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 114476788
N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine
CID 63589651
N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine
CID 134108535

Frequently Asked Questions

What is the IUPAC name of [3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol (CID 115355459) is [3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol is COc1cc(OC)nc(NCc2cccc(CO)c2)n1.
What is the InChIKey of [3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol?
The InChIKey is SPQDHTPFBBKKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-12-7-13(20-2)17-14(16-12)15-8-10-4-3-5-11(6-10)9-18/h3-7,18H,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of [3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol?
[3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol has a molecular weight of 275.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 115355459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).