N-(3-methyloxolan-3-yl)-2-pyridin-2-ylpyrido[3,2-d]pyrimidin-4-amine

C17H17N5O — CID 155102614

IUPACN-(3-methyloxolan-3-yl)-2-pyridin-2-ylpyrido[3,2-d]pyrimidin-4-amine
SMILESCC1(Nc2nc(-c3ccccn3)nc3cccnc23)CCOC1
InChIInChI=1S/C17H17N5O/c1-17(7-10-23-11-17)22-16-14-12(6-4-9-19-14)20-15(21-16)13-5-2-3-8-18-13/h2-6,8-9H,7,10-11H2,1H3,(H,20,21,22)
InChIKeyUYXQCXZIASMYNR-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.68
Rot. Bonds3

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

N-(3-methyloxolan-3-yl)-2-pyridin-2-ylpyrido[3,2-d]pyrimidin-4-amine (PubChem CID 155102614) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(3-methyloxolan-3-yl)-2-pyridin-2-ylpyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methyloxolan-3-yl)-2-pyridin-2-ylpyrido[3,2-d]pyrimidin-4-amine
PubChem CID155102614
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-(3-methyloxolan-3-yl)-2-pyridin-2-ylpyrido[3,2-d]pyrimidin-4-amine
SMILESCC1(Nc2nc(-c3ccccn3)nc3cccnc23)CCOC1
InChIInChI=1S/C17H17N5O/c1-17(7-10-23-11-17)22-16-14-12(6-4-9-19-14)20-15(21-16)13-5-2-3-8-18-13/h2-6,8-9H,7,10-11H2,1H3,(H,20,21,22)
InChIKeyUYXQCXZIASMYNR-UHFFFAOYSA-N
XLogP2.68
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxolan-3-yl)-2-pyridin-2-ylpyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methyloxolan-3-yl)-2-pyridin-2-ylpyrido[3,2-d]pyrimidin-4-amine (CID 155102614) is N-(3-methyloxolan-3-yl)-2-pyridin-2-ylpyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methyloxolan-3-yl)-2-pyridin-2-ylpyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methyloxolan-3-yl)-2-pyridin-2-ylpyrido[3,2-d]pyrimidin-4-amine is CC1(Nc2nc(-c3ccccn3)nc3cccnc23)CCOC1.
What is the InChIKey of N-(3-methyloxolan-3-yl)-2-pyridin-2-ylpyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is UYXQCXZIASMYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-17(7-10-23-11-17)22-16-14-12(6-4-9-19-14)20-15(21-16)13-5-2-3-8-18-13/h2-6,8-9H,7,10-11H2,1H3,(H,20,21,22).
What are the key properties of N-(3-methyloxolan-3-yl)-2-pyridin-2-ylpyrido[3,2-d]pyrimidin-4-amine?
N-(3-methyloxolan-3-yl)-2-pyridin-2-ylpyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 307.36 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxolan-3-yl)-2-pyridin-2-ylpyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 155102614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).