N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine

C15H14ClN3S — CID 80946343

IUPACN-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C15H14ClN3S/c1-2-3-14-18-13(16)9-15(19-14)17-11-4-5-12-10(8-11)6-7-20-12/h4-9H,2-3H2,1H3,(H,17,18,19)
InChIKeyQTMXKSJVORDMNR-UHFFFAOYSA-N
MW303.82 g/mol
LogP5.04
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine

N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine (PubChem CID 80946343) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine
PubChem CID80946343
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C15H14ClN3S/c1-2-3-14-18-13(16)9-15(19-14)17-11-4-5-12-10(8-11)6-7-20-12/h4-9H,2-3H2,1H3,(H,17,18,19)
InChIKeyQTMXKSJVORDMNR-UHFFFAOYSA-N
XLogP5.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.82
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937710
6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine
CID 80938749
6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine
CID 80939171
N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 80939572
4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80982098
4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80847556
2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine
CID 80847555
N-(1-benzothiophen-5-yl)-2-chloropyrimidin-4-amine
CID 65453391
N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80977515
6-chloro-N-[(3-ethylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
CID 80945762
N-(1-benzothiophen-5-yl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 65453599
6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
CID 80944911

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine?
The IUPAC name of N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine (CID 80946343) is N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(Nc2ccc3sccc3c2)n1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine?
The InChIKey is QTMXKSJVORDMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-2-3-14-18-13(16)9-15(19-14)17-11-4-5-12-10(8-11)6-7-20-12/h4-9H,2-3H2,1H3,(H,17,18,19).
What are the key properties of N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine?
N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine has a molecular weight of 303.82 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80946343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).