5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine

C25H25BrN6O — CID 11466251

IUPAC5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1c(-c2ccc(N3CCOCC3)nc2)nc2ncnc(N)c2c1-c1cccc(Br)c1
InChIInChI=1S/C25H25BrN6O/c1-15(2)20-21(16-4-3-5-18(26)12-16)22-24(27)29-14-30-25(22)31-23(20)17-6-7-19(28-13-17)32-8-10-33-11-9-32/h3-7,12-15H,8-11H2,1-2H3,(H2,27,29,30,31)
InChIKeyFEFIKJGMSHRSMH-UHFFFAOYSA-N
MW505.42 g/mol
LogP5.06
Rot. Bonds4

About 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine

5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11466251) has the molecular formula C25H25BrN6O and a molecular weight of 505.42 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID11466251
Molecular FormulaC25H25BrN6O
Molecular Weight505.42 g/mol
Exact Mass504.13
IUPAC Name5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1c(-c2ccc(N3CCOCC3)nc2)nc2ncnc(N)c2c1-c1cccc(Br)c1
InChIInChI=1S/C25H25BrN6O/c1-15(2)20-21(16-4-3-5-18(26)12-16)22-24(27)29-14-30-25(22)31-23(20)17-6-7-19(28-13-17)32-8-10-33-11-9-32/h3-7,12-15H,8-11H2,1-2H3,(H2,27,29,30,31)
InChIKeyFEFIKJGMSHRSMH-UHFFFAOYSA-N
XLogP5.06
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine (CID 11466251) is 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine is CC(C)c1c(-c2ccc(N3CCOCC3)nc2)nc2ncnc(N)c2c1-c1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is FEFIKJGMSHRSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN6O/c1-15(2)20-21(16-4-3-5-18(26)12-16)22-24(27)29-14-30-25(22)31-23(20)17-6-7-19(28-13-17)32-8-10-33-11-9-32/h3-7,12-15H,8-11H2,1-2H3,(H2,27,29,30,31).
What are the key properties of 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 505.42 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11466251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).