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

C17H28N4O2 — CID 123471821

IUPAC2-(ethylamino)-4,6-dimethyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCCNc1nc(C)c2c(n1)N(CCCOC(C)C)C(O)C(C)=C2
InChIInChI=1S/C17H28N4O2/c1-6-18-17-19-13(5)14-10-12(4)16(22)21(15(14)20-17)8-7-9-23-11(2)3/h10-11,16,22H,6-9H2,1-5H3,(H,18,19,20)
InChIKeyXZVWQEOOMWLYRD-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.57
Rot. Bonds7

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

2-(ethylamino)-4,6-dimethyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol (PubChem CID 123471821) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(ethylamino)-4,6-dimethyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol.

Molecular Properties

Compound Name2-(ethylamino)-4,6-dimethyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol
PubChem CID123471821
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-(ethylamino)-4,6-dimethyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCCNc1nc(C)c2c(n1)N(CCCOC(C)C)C(O)C(C)=C2
InChIInChI=1S/C17H28N4O2/c1-6-18-17-19-13(5)14-10-12(4)16(22)21(15(14)20-17)8-7-9-23-11(2)3/h10-11,16,22H,6-9H2,1-5H3,(H,18,19,20)
InChIKeyXZVWQEOOMWLYRD-UHFFFAOYSA-N
XLogP2.57
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(ethylamino)-4,6-dimethyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol with MolForge

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Related Compounds

(2E,4E)-4-(5-ethenyl-4-methyl-6-piperazin-1-ylpyrimidin-2-yl)-5-fluorohepta-2,4,6-trien-3-ol
CID 143244920
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-(3-ethoxypropyl)-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 123189410
6-bromo-2-(ethylamino)-8-(3-hydroxypropyl)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 123434019
2-amino-6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 123576710
CID 123809707
CID 123809707
6-bromo-4-methyl-2-(2-methylpropylamino)-8-propan-2-yl-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 123850541
6-bromo-2-(ethylamino)-4-methyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 137384078
8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 137384082

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4,6-dimethyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol?
The IUPAC name of 2-(ethylamino)-4,6-dimethyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol (CID 123471821) is 2-(ethylamino)-4,6-dimethyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol.
What is the SMILES notation for 2-(ethylamino)-4,6-dimethyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol?
The canonical SMILES for 2-(ethylamino)-4,6-dimethyl-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(C)=C2.
What is the InChIKey of 2-(ethylamino)-4,6-dimethyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol?
The InChIKey is XZVWQEOOMWLYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-6-18-17-19-13(5)14-10-12(4)16(22)21(15(14)20-17)8-7-9-23-11(2)3/h10-11,16,22H,6-9H2,1-5H3,(H,18,19,20).
What are the key properties of 2-(ethylamino)-4,6-dimethyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol?
2-(ethylamino)-4,6-dimethyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol has a molecular weight of 320.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4,6-dimethyl-8-(3-propan-2-yloxypropyl)-7H-pyrido[2,3-d]pyrimidin-7-ol is sourced from PubChem (CID 123471821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).