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

C15H14ClN3S — CID 80977515

IUPACN-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C15H14ClN3S/c1-3-13-18-14(16)9(2)15(19-13)17-11-4-5-12-10(8-11)6-7-20-12/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyIRMQRZCMKRQEDD-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.96
Rot. Bonds3

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

N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80977515) 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-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID80977515
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C15H14ClN3S/c1-3-13-18-14(16)9(2)15(19-13)17-11-4-5-12-10(8-11)6-7-20-12/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyIRMQRZCMKRQEDD-UHFFFAOYSA-N
XLogP4.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine (CID 80977515) is N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(Cl)c(C)c(Nc2ccc3sccc3c2)n1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is IRMQRZCMKRQEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-3-13-18-14(16)9(2)15(19-13)17-11-4-5-12-10(8-11)6-7-20-12/h4-8H,3H2,1-2H3,(H,17,18,19).
What are the key properties of N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine?
N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 303.82 g/mol, XLogP of 4.96, 3 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-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80977515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).