2-phenyl-5H-thiochromeno[4,3-d]pyrimidine

C17H12N2S — CID 122193529

IUPAC2-phenyl-5H-thiochromeno[4,3-d]pyrimidine
SMILESc1ccc(-c2ncc3c(n2)-c2ccccc2SC3)cc1
InChIInChI=1S/C17H12N2S/c1-2-6-12(7-3-1)17-18-10-13-11-20-15-9-5-4-8-14(15)16(13)19-17/h1-10H,11H2
InChIKeyOOGMSGPJEAKJPU-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.42
Rot. Bonds1

About 2-phenyl-5H-thiochromeno[4,3-d]pyrimidine

2-phenyl-5H-thiochromeno[4,3-d]pyrimidine (PubChem CID 122193529) has the molecular formula C17H12N2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-phenyl-5H-thiochromeno[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-5H-thiochromeno[4,3-d]pyrimidine
PubChem CID122193529
Molecular FormulaC17H12N2S
Molecular Weight276.36 g/mol
Exact Mass276.07
IUPAC Name2-phenyl-5H-thiochromeno[4,3-d]pyrimidine
SMILESc1ccc(-c2ncc3c(n2)-c2ccccc2SC3)cc1
InChIInChI=1S/C17H12N2S/c1-2-6-12(7-3-1)17-18-10-13-11-20-15-9-5-4-8-14(15)16(13)19-17/h1-10H,11H2
InChIKeyOOGMSGPJEAKJPU-UHFFFAOYSA-N
XLogP4.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dimethyl-5-[(2-methylbenzyl)thio]pyrimidine
CID 2745352
9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
CID 2739435
5-Methyl-6-(1-naphthylsulfanylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 456272
methyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide
CID 1488852
9-chloro-5H-thiochromeno[4,3-d]pyrimidin-2-amine
CID 3602968
2-Methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine
CID 71682893
5-(Benzothiophen-3-yl)-4-(5-phenyl-2-thienyl)pyrimidine
CID 118735947
8-chloro-N-(4-chlorophenyl)-5H-thiochromeno[4,3-d]pyrimidin-2-amine
CID 122193780
4-(5H-thiochromeno[4,3-d]pyrimidin-2-ylamino)benzenesulfonamide
CID 127027289
2-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
CID 137647832
N-phenyl-9-thia-3,5,11-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaen-4-amine
CID 155515046
N,N-dimethyl-2-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]ethanamine
CID 944534

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5H-thiochromeno[4,3-d]pyrimidine?
The IUPAC name of 2-phenyl-5H-thiochromeno[4,3-d]pyrimidine (CID 122193529) is 2-phenyl-5H-thiochromeno[4,3-d]pyrimidine.
What is the SMILES notation for 2-phenyl-5H-thiochromeno[4,3-d]pyrimidine?
The canonical SMILES for 2-phenyl-5H-thiochromeno[4,3-d]pyrimidine is c1ccc(-c2ncc3c(n2)-c2ccccc2SC3)cc1.
What is the InChIKey of 2-phenyl-5H-thiochromeno[4,3-d]pyrimidine?
The InChIKey is OOGMSGPJEAKJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S/c1-2-6-12(7-3-1)17-18-10-13-11-20-15-9-5-4-8-14(15)16(13)19-17/h1-10H,11H2.
What are the key properties of 2-phenyl-5H-thiochromeno[4,3-d]pyrimidine?
2-phenyl-5H-thiochromeno[4,3-d]pyrimidine has a molecular weight of 276.36 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5H-thiochromeno[4,3-d]pyrimidine is sourced from PubChem (CID 122193529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).