N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine

C21H19N5O — CID 137470023

IUPACN-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCN(CCOc1ccccc1)c1nc(-c2cccnc2)nc2ncccc12
InChIInChI=1S/C21H19N5O/c1-26(13-14-27-17-8-3-2-4-9-17)21-18-10-6-12-23-20(18)24-19(25-21)16-7-5-11-22-15-16/h2-12,15H,13-14H2,1H3
InChIKeyQEBKUTNHOMQOCT-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.60
Rot. Bonds6

About N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine

N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 137470023) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID137470023
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCN(CCOc1ccccc1)c1nc(-c2cccnc2)nc2ncccc12
InChIInChI=1S/C21H19N5O/c1-26(13-14-27-17-8-3-2-4-9-17)21-18-10-6-12-23-20(18)24-19(25-21)16-7-5-11-22-15-16/h2-12,15H,13-14H2,1H3
InChIKeyQEBKUTNHOMQOCT-UHFFFAOYSA-N
XLogP3.60
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dorsomorphin
CID 11524144
6-{[(2,5-Diethoxyphenyl)amino]methyl}-5-Methylpyrido[2,3-D]pyrimidine-2,4-Diamine
CID 457349
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine
CID 134611708
4-Phenoxy-2-pyridin-3-ylquinazoline
CID 872375
4-N-(2-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328060
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
6-[(2-Methoxy-5-methylphenylamino)methyl]-2,4-diamino-5-methylpyrido[2,3-d]pyrimidine
CID 457343

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine (CID 137470023) is N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine is CN(CCOc1ccccc1)c1nc(-c2cccnc2)nc2ncccc12.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is QEBKUTNHOMQOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-26(13-14-27-17-8-3-2-4-9-17)21-18-10-6-12-23-20(18)24-19(25-21)16-7-5-11-22-15-16/h2-12,15H,13-14H2,1H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine?
N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 357.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)-2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 137470023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).