6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol

C15H23BrN4O2 — CID 123189410

IUPAC6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCCNc1nc(C)c2c(n1)N(CCCOCC)C(O)C(Br)=C2
InChIInChI=1S/C15H23BrN4O2/c1-4-17-15-18-10(3)11-9-12(16)14(21)20(13(11)19-15)7-6-8-22-5-2/h9,14,21H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyUCEOHHZMKPFNJC-UHFFFAOYSA-N
MW371.28 g/mol
LogP2.52
Rot. Bonds7

About 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol

6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol (PubChem CID 123189410) has the molecular formula C15H23BrN4O2 and a molecular weight of 371.28 g/mol. Its IUPAC name is 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol.

Molecular Properties

Compound Name6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
PubChem CID123189410
Molecular FormulaC15H23BrN4O2
Molecular Weight371.28 g/mol
Exact Mass370.10
IUPAC Name6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCCNc1nc(C)c2c(n1)N(CCCOCC)C(O)C(Br)=C2
InChIInChI=1S/C15H23BrN4O2/c1-4-17-15-18-10(3)11-9-12(16)14(21)20(13(11)19-15)7-6-8-22-5-2/h9,14,21H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyUCEOHHZMKPFNJC-UHFFFAOYSA-N
XLogP2.52
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-Bromo-2-(ethylamino)-8-(3-methoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7(8h)-one
CID 16124582
6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 16124587
6-Bromo-2-(ethylamino)-8-(2-hydroxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 16124588
6-Bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 57448431
6-Bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)pyrido[2,3-d]pyrimidin-7-one
CID 57448432
N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 67389320
3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol
CID 69009238
6-bromo-8-(2-ethoxyethyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 69009692
6-bromo-N-ethyl-8-(3-methoxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 69010230
6-bromo-8-(3-ethoxypropyl)-N-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 69010542
6-bromo-8-ethyl-4-methyl-N-(2-morpholin-4-ylethyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 69013805
2-Amino-6-bromo-8-(3-ethoxypropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 71129505

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol?
The IUPAC name of 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol (CID 123189410) is 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol.
What is the SMILES notation for 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol?
The canonical SMILES for 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol is CCNc1nc(C)c2c(n1)N(CCCOCC)C(O)C(Br)=C2.
What is the InChIKey of 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol?
The InChIKey is UCEOHHZMKPFNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O2/c1-4-17-15-18-10(3)11-9-12(16)14(21)20(13(11)19-15)7-6-8-22-5-2/h9,14,21H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol?
6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol has a molecular weight of 371.28 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol is sourced from PubChem (CID 123189410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).