(1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol

C14H17N3O2 — CID 94197015

IUPAC(1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol
SMILESCOc1ccnc(NCc2ccc([C@@H](C)O)cc2)n1
InChIInChI=1S/C14H17N3O2/c1-10(18)12-5-3-11(4-6-12)9-16-14-15-8-7-13(17-14)19-2/h3-8,10,18H,9H2,1-2H3,(H,15,16,17)/t10-/m1/s1
InChIKeyKCQFLYSSEWHCAS-SNVBAGLBSA-N
MW259.31 g/mol
LogP2.15
Rot. Bonds5

About (1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol

(1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol (PubChem CID 94197015) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol
PubChem CID94197015
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol
SMILESCOc1ccnc(NCc2ccc([C@@H](C)O)cc2)n1
InChIInChI=1S/C14H17N3O2/c1-10(18)12-5-3-11(4-6-12)9-16-14-15-8-7-13(17-14)19-2/h3-8,10,18H,9H2,1-2H3,(H,15,16,17)/t10-/m1/s1
InChIKeyKCQFLYSSEWHCAS-SNVBAGLBSA-N
XLogP2.15
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol with MolForge

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Related Compounds

4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
4-methoxy-N-[(4-pyridin-3-ylphenyl)methyl]pyrimidin-2-amine
CID 133332712
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115355071
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
4-methoxy-N-(thiophen-3-ylmethyl)pyrimidin-2-amine
CID 112685174
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638872
1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
CID 115702045
1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
CID 133289929

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol (CID 94197015) is (1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol is COc1ccnc(NCc2ccc([C@@H](C)O)cc2)n1.
What is the InChIKey of (1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol?
The InChIKey is KCQFLYSSEWHCAS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(18)12-5-3-11(4-6-12)9-16-14-15-8-7-13(17-14)19-2/h3-8,10,18H,9H2,1-2H3,(H,15,16,17)/t10-/m1/s1.
What are the key properties of (1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol?
(1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol has a molecular weight of 259.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol is sourced from PubChem (CID 94197015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).