2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine

C19H15N3S — CID 117083026

IUPAC2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine
SMILESc1ccc(CNc2ccnc(-c3csc4ccccc34)n2)cc1
InChIInChI=1S/C19H15N3S/c1-2-6-14(7-3-1)12-21-18-10-11-20-19(22-18)16-13-23-17-9-5-4-8-15(16)17/h1-11,13H,12H2,(H,20,21,22)
InChIKeyMWUMHEJOTQKQBB-UHFFFAOYSA-N
MW317.42 g/mol
LogP4.97
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine

2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine (PubChem CID 117083026) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine
PubChem CID117083026
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC Name2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine
SMILESc1ccc(CNc2ccnc(-c3csc4ccccc34)n2)cc1
InChIInChI=1S/C19H15N3S/c1-2-6-14(7-3-1)12-21-18-10-11-20-19(22-18)16-13-23-17-9-5-4-8-15(16)17/h1-11,13H,12H2,(H,20,21,22)
InChIKeyMWUMHEJOTQKQBB-UHFFFAOYSA-N
XLogP4.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine
CID 62699425
2-(1-benzothiophen-3-yl)-N-(1-benzylpiperidin-4-yl)pyrimidin-4-amine
CID 117091888
N-benzyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine;N-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine
CID 158347023
2-(1-benzothiophen-3-yl)-9-phenyl-N-(pyridin-3-ylmethyl)purin-6-amine
CID 117091216
2-(1-benzothiophen-3-yl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 117084082
4-N-benzyl-2-N-isoquinolin-1-ylpyrimidine-2,4-diamine
CID 117091823
N-benzyl-2-propan-2-ylpyrimidin-4-amine
CID 164867803
N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 3233960
2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 117084250
2-(2-amino-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 71204003
2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine
CID 116897806
2-(1-benzothiophen-3-yl)-5-methyl-N-phenylpyrimidin-4-amine
CID 117090654

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine (CID 117083026) is 2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine is c1ccc(CNc2ccnc(-c3csc4ccccc34)n2)cc1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine?
The InChIKey is MWUMHEJOTQKQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c1-2-6-14(7-3-1)12-21-18-10-11-20-19(22-18)16-13-23-17-9-5-4-8-15(16)17/h1-11,13H,12H2,(H,20,21,22).
What are the key properties of 2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine?
2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine has a molecular weight of 317.42 g/mol, XLogP of 4.97, 4 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)-N-benzylpyrimidin-4-amine is sourced from PubChem (CID 117083026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).