(6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

C15H17BrN4O — CID 135470396

IUPAC(6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)C[C@H](CCc1ccc(Br)cc1)CN2
InChIInChI=1S/C15H17BrN4O/c16-11-5-3-9(4-6-11)1-2-10-7-12-13(18-8-10)19-15(17)20-14(12)21/h3-6,10H,1-2,7-8H2,(H4,17,18,19,20,21)/t10-/m0/s1
InChIKeyAWOVINGGMOSUSP-JTQLQIEISA-N
MW349.23 g/mol
LogP2.33
Rot. Bonds3

About (6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

(6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135470396) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is (6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135470396
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name(6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)C[C@H](CCc1ccc(Br)cc1)CN2
InChIInChI=1S/C15H17BrN4O/c16-11-5-3-9(4-6-11)1-2-10-7-12-13(18-8-10)19-15(17)20-14(12)21/h3-6,10H,1-2,7-8H2,(H4,17,18,19,20,21)/t10-/m0/s1
InChIKeyAWOVINGGMOSUSP-JTQLQIEISA-N
XLogP2.33
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135470396) is (6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)C[C@H](CCc1ccc(Br)cc1)CN2.
What is the InChIKey of (6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is AWOVINGGMOSUSP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-11-5-3-9(4-6-11)1-2-10-7-12-13(18-8-10)19-15(17)20-14(12)21/h3-6,10H,1-2,7-8H2,(H4,17,18,19,20,21)/t10-/m0/s1.
What are the key properties of (6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
(6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 349.23 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135470396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).