N-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine

C17H17N5O — CID 74235596

IUPACN-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine
SMILESCOCC(Nc1nccc(-c2ccccn2)n1)c1ccccn1
InChIInChI=1S/C17H17N5O/c1-23-12-16(14-7-3-5-10-19-14)22-17-20-11-8-15(21-17)13-6-2-4-9-18-13/h2-11,16H,12H2,1H3,(H,20,21,22)
InChIKeyNDXQSIJGBQEINP-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.73
Rot. Bonds6

About N-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine

N-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 74235596) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine
PubChem CID74235596
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine
SMILESCOCC(Nc1nccc(-c2ccccn2)n1)c1ccccn1
InChIInChI=1S/C17H17N5O/c1-23-12-16(14-7-3-5-10-19-14)22-17-20-11-8-15(21-17)13-6-2-4-9-18-13/h2-11,16H,12H2,1H3,(H,20,21,22)
InChIKeyNDXQSIJGBQEINP-UHFFFAOYSA-N
XLogP2.73
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of N-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine (CID 74235596) is N-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine is COCC(Nc1nccc(-c2ccccn2)n1)c1ccccn1.
What is the InChIKey of N-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is NDXQSIJGBQEINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-23-12-16(14-7-3-5-10-19-14)22-17-20-11-8-15(21-17)13-6-2-4-9-18-13/h2-11,16H,12H2,1H3,(H,20,21,22).
What are the key properties of N-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine?
N-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 307.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 74235596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).