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

C15H15N3S — CID 62699425

IUPAC2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2csc3ccccc23)n1
InChIInChI=1S/C15H15N3S/c1-2-8-16-14-7-9-17-15(18-14)12-10-19-13-6-4-3-5-11(12)13/h3-7,9-10H,2,8H2,1H3,(H,16,17,18)
InChIKeyMTBSZOYLYUKSCT-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.18
Rot. Bonds4

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

2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine (PubChem CID 62699425) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine
PubChem CID62699425
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2csc3ccccc23)n1
InChIInChI=1S/C15H15N3S/c1-2-8-16-14-7-9-17-15(18-14)12-10-19-13-6-4-3-5-11(12)13/h3-7,9-10H,2,8H2,1H3,(H,16,17,18)
InChIKeyMTBSZOYLYUKSCT-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine
CID 117083026
2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 117084250
2-(1-benzothiophen-3-yl)-N-(1-benzylpiperidin-4-yl)pyrimidin-4-amine
CID 117091888
2-naphthalen-2-yl-N-propylpyrimidin-4-amine
CID 62202615
2-(5-methylthiophen-2-yl)-N-propylpyrimidin-4-amine
CID 62203140
2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193425
N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62201721
2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 62191848
2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine
CID 62202434
2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine
CID 116897806
2-(3-bromophenyl)-N-propylpyrimidin-4-amine
CID 55135437
3-(propylamino)thiochromen-4-one
CID 53016922

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine (CID 62699425) is 2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine is CCCNc1ccnc(-c2csc3ccccc23)n1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine?
The InChIKey is MTBSZOYLYUKSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-2-8-16-14-7-9-17-15(18-14)12-10-19-13-6-4-3-5-11(12)13/h3-7,9-10H,2,8H2,1H3,(H,16,17,18).
What are the key properties of 2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine?
2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 4.18, 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-propylpyrimidin-4-amine is sourced from PubChem (CID 62699425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).