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

C16H25BrN4O2 — CID 137384078

IUPAC6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCCNc1nc(C)c2c(n1)N(CCCOC(C)C)C(O)C(Br)=C2
InChIInChI=1S/C16H25BrN4O2/c1-5-18-16-19-11(4)12-9-13(17)15(22)21(14(12)20-16)7-6-8-23-10(2)3/h9-10,15,22H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyPGTPXOGTSJVRSF-UHFFFAOYSA-N
MW385.31 g/mol
LogP2.91
Rot. Bonds7

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

6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol (PubChem CID 137384078) has the molecular formula C16H25BrN4O2 and a molecular weight of 385.31 g/mol. Its IUPAC name is 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol.

Molecular Properties

Compound Name6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol
PubChem CID137384078
Molecular FormulaC16H25BrN4O2
Molecular Weight385.31 g/mol
Exact Mass384.12
IUPAC Name6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCCNc1nc(C)c2c(n1)N(CCCOC(C)C)C(O)C(Br)=C2
InChIInChI=1S/C16H25BrN4O2/c1-5-18-16-19-11(4)12-9-13(17)15(22)21(14(12)20-16)7-6-8-23-10(2)3/h9-10,15,22H,5-8H2,1-4H3,(H,18,19,20)
InChIKeyPGTPXOGTSJVRSF-UHFFFAOYSA-N
XLogP2.91
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 52.91
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol?
The IUPAC name of 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol (CID 137384078) is 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol.
What is the SMILES notation for 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol?
The canonical SMILES for 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol is CCNc1nc(C)c2c(n1)N(CCCOC(C)C)C(O)C(Br)=C2.
What is the InChIKey of 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol?
The InChIKey is PGTPXOGTSJVRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN4O2/c1-5-18-16-19-11(4)12-9-13(17)15(22)21(14(12)20-16)7-6-8-23-10(2)3/h9-10,15,22H,5-8H2,1-4H3,(H,18,19,20).
What are the key properties of 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol?
6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol has a molecular weight of 385.31 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol is sourced from PubChem (CID 137384078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).