N-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine

C17H13N3S — CID 11616279

IUPACN-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
SMILESc1ccc(Nc2ncc3c(n2)-c2ccccc2SC3)cc1
InChIInChI=1S/C17H13N3S/c1-2-6-13(7-3-1)19-17-18-10-12-11-21-15-9-5-4-8-14(15)16(12)20-17/h1-10H,11H2,(H,18,19,20)
InChIKeyAGZSNVJEBZAQKW-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.49
Rot. Bonds2

About N-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine

N-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine (PubChem CID 11616279) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
PubChem CID11616279
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC NameN-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
SMILESc1ccc(Nc2ncc3c(n2)-c2ccccc2SC3)cc1
InChIInChI=1S/C17H13N3S/c1-2-6-13(7-3-1)19-17-18-10-12-11-21-15-9-5-4-8-14(15)16(12)20-17/h1-10H,11H2,(H,18,19,20)
InChIKeyAGZSNVJEBZAQKW-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 51371056
9-chloro-5-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
CID 2739435
N1-(7-(4-(methylthio)phenyl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10215165
N-(3-methylphenyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 14347006
7-methyl-N-(5-methyl-2-phenylsulfanyl-phenyl)-1,8-naphthyridin-4-amine
CID 16214862
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
N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 15653033
4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)-N-phenylpyrimidin-2-amine
CID 45268625
2-Methyl-2-(3-pyrimidin-5-ylphenyl)-1,3-benzothiazin-4-amine
CID 71682893
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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine (CID 11616279) is N-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine is c1ccc(Nc2ncc3c(n2)-c2ccccc2SC3)cc1.
What is the InChIKey of N-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
The InChIKey is AGZSNVJEBZAQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-2-6-13(7-3-1)19-17-18-10-12-11-21-15-9-5-4-8-14(15)16(12)20-17/h1-10H,11H2,(H,18,19,20).
What are the key properties of N-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine?
N-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine has a molecular weight of 291.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11616279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).