2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol

C14H17N3O — CID 11160875

IUPAC2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol
SMILESCc1ncc(Cc2cccc(CCO)c2)c(N)n1
InChIInChI=1S/C14H17N3O/c1-10-16-9-13(14(15)17-10)8-12-4-2-3-11(7-12)5-6-18/h2-4,7,9,18H,5-6,8H2,1H3,(H2,15,16,17)
InChIKeyCLAXVJRRXGSGJP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.49
Rot. Bonds4

About 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol (PubChem CID 11160875) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol
PubChem CID11160875
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol
SMILESCc1ncc(Cc2cccc(CCO)c2)c(N)n1
InChIInChI=1S/C14H17N3O/c1-10-16-9-13(14(15)17-10)8-12-4-2-3-11(7-12)5-6-18/h2-4,7,9,18H,5-6,8H2,1H3,(H2,15,16,17)
InChIKeyCLAXVJRRXGSGJP-UHFFFAOYSA-N
XLogP1.49
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}methanol
CID 77620524
1-(2-Amino-4-pyrimidinyl)-3-(3-phenylpropyl)-3-piperidinemethanol
CID 56750508
5-Methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 54761047
[3-[(2,4-Diaminopyrimidin-5-yl)methyl]phenyl]methanol
CID 14999832
[3-[(2,4-Diaminopyrimidin-5-yl)methyl]-5-(hydroxymethyl)phenyl]methanol
CID 14999834
5-[[3-(Butoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 14999841
5-[[3-(Methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 14999843
5-[(3-Methylphenyl)methyl]pyrimidine-2,4-diamine
CID 14999846
5-[(3,5-Dimethylphenyl)methyl]pyrimidine-2,4-diamine
CID 14999852
[1-{[2-(3-Methylphenyl)pyrimidin-5-yl]methyl}-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16191448
[5-[(2,4-Diaminopyrimidin-5-yl)methyl]-3-ethyl-2-(hydroxymethyl)phenyl]methanol
CID 44299608
2-[4-[(4-Methylpyrimidin-2-yl)amino]phenyl]ethanol
CID 51361052

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol?
The IUPAC name of 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol (CID 11160875) is 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol.
What is the SMILES notation for 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol?
The canonical SMILES for 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol is Cc1ncc(Cc2cccc(CCO)c2)c(N)n1.
What is the InChIKey of 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol?
The InChIKey is CLAXVJRRXGSGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-16-9-13(14(15)17-10)8-12-4-2-3-11(7-12)5-6-18/h2-4,7,9,18H,5-6,8H2,1H3,(H2,15,16,17).
What are the key properties of 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol?
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol has a molecular weight of 243.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethanol is sourced from PubChem (CID 11160875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).