2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol

C12H14N4O2 — CID 102950454

IUPAC2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(C(O)Cc2ccnc(N)c2)ncn1
InChIInChI=1S/C12H14N4O2/c1-18-12-6-9(15-7-16-12)10(17)4-8-2-3-14-11(13)5-8/h2-3,5-7,10,17H,4H2,1H3,(H2,13,14)
InChIKeyNLRIASSQUHCOPX-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.74
Rot. Bonds4

About 2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol

2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol (PubChem CID 102950454) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol
PubChem CID102950454
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol
SMILESCOc1cc(C(O)Cc2ccnc(N)c2)ncn1
InChIInChI=1S/C12H14N4O2/c1-18-12-6-9(15-7-16-12)10(17)4-8-2-3-14-11(13)5-8/h2-3,5-7,10,17H,4H2,1H3,(H2,13,14)
InChIKeyNLRIASSQUHCOPX-UHFFFAOYSA-N
XLogP0.74
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-4-pyridinyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103347981
(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine
CID 96849754
2-(2-amino-4-pyridinyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 106819367
4-(2-amino-3-methoxybutyl)pyridin-2-amine
CID 79615950
2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950327
2-(2-amino-4-pyridinyl)-1-(2-chloro-6-methoxyphenyl)ethanol
CID 104817206
1-(2-amino-4-pyridinyl)-5-methoxypentan-2-ol
CID 65091967
2-(5-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950239
2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950413
1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol
CID 102950319
1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 102950291
2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950450

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol (CID 102950454) is 2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol is COc1cc(C(O)Cc2ccnc(N)c2)ncn1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
The InChIKey is NLRIASSQUHCOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-12-6-9(15-7-16-12)10(17)4-8-2-3-14-11(13)5-8/h2-3,5-7,10,17H,4H2,1H3,(H2,13,14).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol?
2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol has a molecular weight of 246.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol is sourced from PubChem (CID 102950454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).