N-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine

C13H16N4O — CID 167967927

IUPACN-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine
SMILESCCN(c1ncc2cccnc2n1)C1CCOC1
InChIInChI=1S/C13H16N4O/c1-2-17(11-5-7-18-9-11)13-15-8-10-4-3-6-14-12(10)16-13/h3-4,6,8,11H,2,5,7,9H2,1H3
InChIKeyNRTMKJASOXUVSK-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.64
Rot. Bonds3

About N-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine

N-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 167967927) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine
PubChem CID167967927
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine
SMILESCCN(c1ncc2cccnc2n1)C1CCOC1
InChIInChI=1S/C13H16N4O/c1-2-17(11-5-7-18-9-11)13-15-8-10-4-3-6-14-12(10)16-13/h3-4,6,8,11H,2,5,7,9H2,1H3
InChIKeyNRTMKJASOXUVSK-UHFFFAOYSA-N
XLogP1.64
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine (CID 167967927) is N-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine is CCN(c1ncc2cccnc2n1)C1CCOC1.
What is the InChIKey of N-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is NRTMKJASOXUVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-17(11-5-7-18-9-11)13-15-8-10-4-3-6-14-12(10)16-13/h3-4,6,8,11H,2,5,7,9H2,1H3.
What are the key properties of N-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine?
N-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 167967927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).