7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one

C14H15N5OS — CID 72849270

IUPAC7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCCSc1ncc(C2CC(=O)Nc3nc(N)ccc32)cn1
InChIInChI=1S/C14H15N5OS/c1-2-21-14-16-6-8(7-17-14)10-5-12(20)19-13-9(10)3-4-11(15)18-13/h3-4,6-7,10H,2,5H2,1H3,(H3,15,18,19,20)
InChIKeyQXZDPYMXZHQCCA-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.04
Rot. Bonds3

About 7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one

7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 72849270) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID72849270
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCCSc1ncc(C2CC(=O)Nc3nc(N)ccc32)cn1
InChIInChI=1S/C14H15N5OS/c1-2-21-14-16-6-8(7-17-14)10-5-12(20)19-13-9(10)3-4-11(15)18-13/h3-4,6-7,10H,2,5H2,1H3,(H3,15,18,19,20)
InChIKeyQXZDPYMXZHQCCA-UHFFFAOYSA-N
XLogP2.04
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 72845356
(4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 97205731
7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 72885591
7-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 169419561
(4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 97117619
7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 72841266
5-(3-chlorophenyl)-2-ethylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135477013
(4R)-4-(2-propylsulfanylpyrimidin-5-yl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820565
(5S)-5-(2-chlorophenyl)-2-ethylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135557110
(5R)-5-(3,5-difluorophenyl)-2-ethylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 136910101
2-ethylsulfanyl-5-(3,4,5-trimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135413748
(5R)-5-(2-chloro-6-fluorophenyl)-2-ethylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 72849270) is 7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one is CCSc1ncc(C2CC(=O)Nc3nc(N)ccc32)cn1.
What is the InChIKey of 7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is QXZDPYMXZHQCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-2-21-14-16-6-8(7-17-14)10-5-12(20)19-13-9(10)3-4-11(15)18-13/h3-4,6-7,10H,2,5H2,1H3,(H3,15,18,19,20).
What are the key properties of 7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 301.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 72849270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).