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

C18H19N5O2 — CID 118248997

IUPAC2-[[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]oxy]ethanol
SMILESCc1nccc(Nc2cc(-c3cnc(C)c(OCCO)c3)ccn2)n1
InChIInChI=1S/C18H19N5O2/c1-12-16(25-8-7-24)9-15(11-21-12)14-3-5-20-18(10-14)23-17-4-6-19-13(2)22-17/h3-6,9-11,24H,7-8H2,1-2H3,(H,19,20,22,23)
InChIKeyCBUGTKDHDWGYGZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.67
Rot. Bonds6

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

2-[[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]oxy]ethanol (PubChem CID 118248997) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]oxy]ethanol
PubChem CID118248997
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]oxy]ethanol
SMILESCc1nccc(Nc2cc(-c3cnc(C)c(OCCO)c3)ccn2)n1
InChIInChI=1S/C18H19N5O2/c1-12-16(25-8-7-24)9-15(11-21-12)14-3-5-20-18(10-14)23-17-4-6-19-13(2)22-17/h3-6,9-11,24H,7-8H2,1-2H3,(H,19,20,22,23)
InChIKeyCBUGTKDHDWGYGZ-UHFFFAOYSA-N
XLogP2.67
TPSA93.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]oxy]ethanol with MolForge

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Related Compounds

4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
2,4-Bis anilino pyrimidine deriv. 12
CID 6538995
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
Aak1-IN-4
CID 118429891
2,4-Bis anilino pyrimidine deriv. 20
CID 6539003
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(2-methoxyethoxy)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25138080

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]oxy]ethanol (CID 118248997) is 2-[[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]oxy]ethanol is Cc1nccc(Nc2cc(-c3cnc(C)c(OCCO)c3)ccn2)n1.
What is the InChIKey of 2-[[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]oxy]ethanol?
The InChIKey is CBUGTKDHDWGYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-16(25-8-7-24)9-15(11-21-12)14-3-5-20-18(10-14)23-17-4-6-19-13(2)22-17/h3-6,9-11,24H,7-8H2,1-2H3,(H,19,20,22,23).
What are the key properties of 2-[[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]oxy]ethanol?
2-[[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]oxy]ethanol has a molecular weight of 337.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]oxy]ethanol is sourced from PubChem (CID 118248997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).