(7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine

C12H10BrClN4S — CID 118958903

IUPAC(7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine
SMILESC[C@@]1(c2sc(Br)cc2Cl)Cc2ncncc2C(N)=N1
InChIInChI=1S/C12H10BrClN4S/c1-12(10-7(14)2-9(13)19-10)3-8-6(11(15)18-12)4-16-5-17-8/h2,4-5H,3H2,1H3,(H2,15,18)/t12-/m0/s1
InChIKeyVLQWWOGCRZKRDG-LBPRGKRZSA-N
MW357.66 g/mol
LogP3.13
Rot. Bonds1

About (7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine

(7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine (PubChem CID 118958903) has the molecular formula C12H10BrClN4S and a molecular weight of 357.66 g/mol. Its IUPAC name is (7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name(7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine
PubChem CID118958903
Molecular FormulaC12H10BrClN4S
Molecular Weight357.66 g/mol
Exact Mass355.95
IUPAC Name(7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine
SMILESC[C@@]1(c2sc(Br)cc2Cl)Cc2ncncc2C(N)=N1
InChIInChI=1S/C12H10BrClN4S/c1-12(10-7(14)2-9(13)19-10)3-8-6(11(15)18-12)4-16-5-17-8/h2,4-5H,3H2,1H3,(H2,15,18)/t12-/m0/s1
InChIKeyVLQWWOGCRZKRDG-LBPRGKRZSA-N
XLogP3.13
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.66
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine?
The IUPAC name of (7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine (CID 118958903) is (7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for (7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine?
The canonical SMILES for (7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine is C[C@@]1(c2sc(Br)cc2Cl)Cc2ncncc2C(N)=N1.
What is the InChIKey of (7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine?
The InChIKey is VLQWWOGCRZKRDG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H10BrClN4S/c1-12(10-7(14)2-9(13)19-10)3-8-6(11(15)18-12)4-16-5-17-8/h2,4-5H,3H2,1H3,(H2,15,18)/t12-/m0/s1.
What are the key properties of (7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine?
(7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine has a molecular weight of 357.66 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(5-bromo-3-chlorothiophen-2-yl)-7-methyl-8H-pyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 118958903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).