N-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine

C15H14ClN3S — CID 135382315

IUPACN-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCCc2ccc3sccc3c2)n1
InChIInChI=1S/C15H14ClN3S/c1-10-18-14(16)9-15(19-10)17-6-4-11-2-3-13-12(8-11)5-7-20-13/h2-3,5,7-9H,4,6H2,1H3,(H,17,18,19)
InChIKeyQPDCAJDAEBULLR-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.31
Rot. Bonds4

About N-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine

N-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine (PubChem CID 135382315) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine
PubChem CID135382315
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCCc2ccc3sccc3c2)n1
InChIInChI=1S/C15H14ClN3S/c1-10-18-14(16)9-15(19-10)17-6-4-11-2-3-13-12(8-11)5-7-20-13/h2-3,5,7-9H,4,6H2,1H3,(H,17,18,19)
InChIKeyQPDCAJDAEBULLR-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
6-N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112874922
N'-tert-butyl-N-(6-chloro-2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 133288706
4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112871519
6-chloro-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 62482738
4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 80797730
4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776341
6-N-[2-(3-chlorophenyl)ethyl]-2-methyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867720
N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine
CID 80946343
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397375
2-tert-butyl-6-chloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 80945638
6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 107361034

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine (CID 135382315) is N-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine is Cc1nc(Cl)cc(NCCc2ccc3sccc3c2)n1.
What is the InChIKey of N-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine?
The InChIKey is QPDCAJDAEBULLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-10-18-14(16)9-15(19-10)17-6-4-11-2-3-13-12(8-11)5-7-20-13/h2-3,5,7-9H,4,6H2,1H3,(H,17,18,19).
What are the key properties of N-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine?
N-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine has a molecular weight of 303.82 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-5-yl)ethyl]-6-chloro-2-methylpyrimidin-4-amine is sourced from PubChem (CID 135382315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).