5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine

C25H27BrN6 — CID 11306409

IUPAC5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCCCCc1c(-c2ccc(N(C)C)nc2)nc2ncnc(N)c2c1-c1cccc(Br)c1
InChIInChI=1S/C25H27BrN6/c1-4-5-6-10-19-21(16-8-7-9-18(26)13-16)22-24(27)29-15-30-25(22)31-23(19)17-11-12-20(28-14-17)32(2)3/h7-9,11-15H,4-6,10H2,1-3H3,(H2,27,29,30,31)
InChIKeyLFYOZWNGKIRTMY-UHFFFAOYSA-N
MW491.44 g/mol
LogP5.90
Rot. Bonds7

About 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine

5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11306409) has the molecular formula C25H27BrN6 and a molecular weight of 491.44 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID11306409
Molecular FormulaC25H27BrN6
Molecular Weight491.44 g/mol
Exact Mass490.15
IUPAC Name5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCCCCc1c(-c2ccc(N(C)C)nc2)nc2ncnc(N)c2c1-c1cccc(Br)c1
InChIInChI=1S/C25H27BrN6/c1-4-5-6-10-19-21(16-8-7-9-18(26)13-16)22-24(27)29-15-30-25(22)31-23(19)17-11-12-20(28-14-17)32(2)3/h7-9,11-15H,4-6,10H2,1-3H3,(H2,27,29,30,31)
InChIKeyLFYOZWNGKIRTMY-UHFFFAOYSA-N
XLogP5.90
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.44
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine (CID 11306409) is 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine is CCCCCc1c(-c2ccc(N(C)C)nc2)nc2ncnc(N)c2c1-c1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is LFYOZWNGKIRTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN6/c1-4-5-6-10-19-21(16-8-7-9-18(26)13-16)22-24(27)29-15-30-25(22)31-23(19)17-11-12-20(28-14-17)32(2)3/h7-9,11-15H,4-6,10H2,1-3H3,(H2,27,29,30,31).
What are the key properties of 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 491.44 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]-6-pentylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11306409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).