2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C15H23N3O — CID 95612716

IUPAC2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCc1ncc2c(n1)CN(C[C@@H]1CCCCO1)CC2
InChIInChI=1S/C15H23N3O/c1-2-15-16-9-12-6-7-18(11-14(12)17-15)10-13-5-3-4-8-19-13/h9,13H,2-8,10-11H2,1H3/t13-/m0/s1
InChIKeyIZCHXZDAEAUGLZ-ZDUSSCGKSA-N
MW261.37 g/mol
LogP1.97
Rot. Bonds3

About 2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 95612716) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID95612716
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCc1ncc2c(n1)CN(C[C@@H]1CCCCO1)CC2
InChIInChI=1S/C15H23N3O/c1-2-15-16-9-12-6-7-18(11-14(12)17-15)10-13-5-3-4-8-19-13/h9,13H,2-8,10-11H2,1H3/t13-/m0/s1
InChIKeyIZCHXZDAEAUGLZ-ZDUSSCGKSA-N
XLogP1.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 95612716) is 2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CCc1ncc2c(n1)CN(C[C@@H]1CCCCO1)CC2.
What is the InChIKey of 2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is IZCHXZDAEAUGLZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-15-16-9-12-6-7-18(11-14(12)17-15)10-13-5-3-4-8-19-13/h9,13H,2-8,10-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 261.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 95612716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).