N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine

C16H16BrClN4 — CID 154452091

IUPACN-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCCN1CC=Cc2cnc(Nc3ccc(Br)c(Cl)c3)nc21
InChIInChI=1S/C16H16BrClN4/c1-2-7-22-8-3-4-11-10-19-16(21-15(11)22)20-12-5-6-13(17)14(18)9-12/h3-6,9-10H,2,7-8H2,1H3,(H,19,20,21)
InChIKeyBZMDJFCOFJVLKG-UHFFFAOYSA-N
MW379.69 g/mol
LogP4.88
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine

N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 154452091) has the molecular formula C16H16BrClN4 and a molecular weight of 379.69 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID154452091
Molecular FormulaC16H16BrClN4
Molecular Weight379.69 g/mol
Exact Mass378.02
IUPAC NameN-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESCCCN1CC=Cc2cnc(Nc3ccc(Br)c(Cl)c3)nc21
InChIInChI=1S/C16H16BrClN4/c1-2-7-22-8-3-4-11-10-19-16(21-15(11)22)20-12-5-6-13(17)14(18)9-12/h3-6,9-10H,2,7-8H2,1H3,(H,19,20,21)
InChIKeyBZMDJFCOFJVLKG-UHFFFAOYSA-N
XLogP4.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.69
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine (CID 154452091) is N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine is CCCN1CC=Cc2cnc(Nc3ccc(Br)c(Cl)c3)nc21.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is BZMDJFCOFJVLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN4/c1-2-7-22-8-3-4-11-10-19-16(21-15(11)22)20-12-5-6-13(17)14(18)9-12/h3-6,9-10H,2,7-8H2,1H3,(H,19,20,21).
What are the key properties of N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 379.69 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 154452091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).