7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine

C20H22BrN5O — CID 168922498

IUPAC7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine
SMILESCc1cccc(CCNc2nc(N3CCOCC3)c3ncc(Br)cc3n2)c1
InChIInChI=1S/C20H22BrN5O/c1-14-3-2-4-15(11-14)5-6-22-20-24-17-12-16(21)13-23-18(17)19(25-20)26-7-9-27-10-8-26/h2-4,11-13H,5-10H2,1H3,(H,22,24,25)
InChIKeyVESZGECZISPZSN-UHFFFAOYSA-N
MW428.33 g/mol
LogP3.59
Rot. Bonds5

About 7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine

7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine (PubChem CID 168922498) has the molecular formula C20H22BrN5O and a molecular weight of 428.33 g/mol. Its IUPAC name is 7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine
PubChem CID168922498
Molecular FormulaC20H22BrN5O
Molecular Weight428.33 g/mol
Exact Mass427.10
IUPAC Name7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine
SMILESCc1cccc(CCNc2nc(N3CCOCC3)c3ncc(Br)cc3n2)c1
InChIInChI=1S/C20H22BrN5O/c1-14-3-2-4-15(11-14)5-6-22-20-24-17-12-16(21)13-23-18(17)19(25-20)26-7-9-27-10-8-26/h2-4,11-13H,5-10H2,1H3,(H,22,24,25)
InChIKeyVESZGECZISPZSN-UHFFFAOYSA-N
XLogP3.59
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine with MolForge

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Related Compounds

[2-[2-(3-methylphenyl)ethylamino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
CID 168922436
[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 118243130
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023
S-[4-[2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethyl]phenyl]thiohydroxylamine
CID 59769696
2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde
CID 118243122
4-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-2-amine
CID 112886384
5-bromo-2-hydrazinyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 80908067
4-[7-bromo-2-methyl-3-[(3-methylphenyl)methyl]benzimidazol-5-yl]morpholine
CID 86687819
6-N-methyl-2-N-[2-(3-methylphenyl)ethyl]pyrazine-2,6-diamine
CID 80826170
5-bromo-2-N-ethyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826619
9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine
CID 166396031
N-methyl-1-(4-morpholin-4-yl-2-phenylpyrido[3,2-d]pyrimidin-7-yl)methanamine
CID 118243086

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine (CID 168922498) is 7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine is Cc1cccc(CCNc2nc(N3CCOCC3)c3ncc(Br)cc3n2)c1.
What is the InChIKey of 7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is VESZGECZISPZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN5O/c1-14-3-2-4-15(11-14)5-6-22-20-24-17-12-16(21)13-23-18(17)19(25-20)26-7-9-27-10-8-26/h2-4,11-13H,5-10H2,1H3,(H,22,24,25).
What are the key properties of 7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine?
7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 428.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[2-(3-methylphenyl)ethyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 168922498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).