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

C13H15ClN4O2 — CID 22460729

IUPAC2-[[2-[[(5-chloropyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]oxy]ethanol
SMILESCc1c(OCCO)ccnc1CNc1ncncc1Cl
InChIInChI=1S/C13H15ClN4O2/c1-9-11(16-3-2-12(9)20-5-4-19)7-17-13-10(14)6-15-8-18-13/h2-3,6,8,19H,4-5,7H2,1H3,(H,15,17,18)
InChIKeyPGUUTRYNNYPQIS-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.82
Rot. Bonds6

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

2-[[2-[[(5-chloropyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]oxy]ethanol (PubChem CID 22460729) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-[[2-[[(5-chloropyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[2-[[(5-chloropyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]oxy]ethanol
PubChem CID22460729
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name2-[[2-[[(5-chloropyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]oxy]ethanol
SMILESCc1c(OCCO)ccnc1CNc1ncncc1Cl
InChIInChI=1S/C13H15ClN4O2/c1-9-11(16-3-2-12(9)20-5-4-19)7-17-13-10(14)6-15-8-18-13/h2-3,6,8,19H,4-5,7H2,1H3,(H,15,17,18)
InChIKeyPGUUTRYNNYPQIS-UHFFFAOYSA-N
XLogP1.82
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 105369414
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 105369387
5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine
CID 105369457
5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine
CID 102975966
N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine
CID 105368920
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 105369409
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
5-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 105369277
5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 105369517
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 102677497
5-chloro-N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
CID 146105482
N-[[4-(2-chloroethoxy)-3-methyl-2-pyridinyl]methyl]quinolin-3-amine
CID 18404158

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(5-chloropyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[2-[[(5-chloropyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]oxy]ethanol (CID 22460729) is 2-[[2-[[(5-chloropyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[2-[[(5-chloropyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[2-[[(5-chloropyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]oxy]ethanol is Cc1c(OCCO)ccnc1CNc1ncncc1Cl.
What is the InChIKey of 2-[[2-[[(5-chloropyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]oxy]ethanol?
The InChIKey is PGUUTRYNNYPQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-9-11(16-3-2-12(9)20-5-4-19)7-17-13-10(14)6-15-8-18-13/h2-3,6,8,19H,4-5,7H2,1H3,(H,15,17,18).
What are the key properties of 2-[[2-[[(5-chloropyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]oxy]ethanol?
2-[[2-[[(5-chloropyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]oxy]ethanol has a molecular weight of 294.74 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(5-chloropyrimidin-4-yl)amino]methyl]-3-methyl-4-pyridinyl]oxy]ethanol is sourced from PubChem (CID 22460729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).