2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine

C19H15N3S — CID 117090654

IUPAC2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine
SMILESCc1cnc(-c2csc3ccccc23)nc1Nc1ccccc1
InChIInChI=1S/C19H15N3S/c1-13-11-20-19(16-12-23-17-10-6-5-9-15(16)17)22-18(13)21-14-7-3-2-4-8-14/h2-12H,1H3,(H,20,21,22)
InChIKeyRYTJCJODMDJIOJ-UHFFFAOYSA-N
MW317.42 g/mol
LogP5.41
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine

2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine (PubChem CID 117090654) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine
PubChem CID117090654
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC Name2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine
SMILESCc1cnc(-c2csc3ccccc23)nc1Nc1ccccc1
InChIInChI=1S/C19H15N3S/c1-13-11-20-19(16-12-23-17-10-6-5-9-15(16)17)22-18(13)21-14-7-3-2-4-8-14/h2-12H,1H3,(H,20,21,22)
InChIKeyRYTJCJODMDJIOJ-UHFFFAOYSA-N
XLogP5.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.42
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828
2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193425
2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine
CID 62699425
[2-(1-benzothiophen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83191648
3-(1-benzothiophen-3-yl)-5-chloro-1,2,4-oxadiazole
CID 62698853
2-(1-benzothiophen-3-yl)-4,6-dichloro-5-fluoropyrimidine
CID 80550933
5-(1-benzothiophen-3-yl)-2,3-dihydro-1H-tetrazole
CID 170201826
3-methyl-1-benzothiophene;zinc
CID 70563074
2-(1-benzothiophen-3-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66295466
2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine
CID 55222097
5-(1-benzothiophen-3-yl)-2-bromo-1H-imidazole
CID 116884338
2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide
CID 117090009

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine (CID 117090654) is 2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine is Cc1cnc(-c2csc3ccccc23)nc1Nc1ccccc1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine?
The InChIKey is RYTJCJODMDJIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c1-13-11-20-19(16-12-23-17-10-6-5-9-15(16)17)22-18(13)21-14-7-3-2-4-8-14/h2-12H,1H3,(H,20,21,22).
What are the key properties of 2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine?
2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine has a molecular weight of 317.42 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 117090654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).