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

C12H17BrN4O — CID 141201576

IUPAC2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol
SMILESCCNc1nc(C)c2c(n1)N(CCO)CC(Br)=C2
InChIInChI=1S/C12H17BrN4O/c1-3-14-12-15-8(2)10-6-9(13)7-17(4-5-18)11(10)16-12/h6,18H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyKKGQGNGKIGUOIS-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.76
Rot. Bonds4

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

2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol (PubChem CID 141201576) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol.

Molecular Properties

Compound Name2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol
PubChem CID141201576
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol
SMILESCCNc1nc(C)c2c(n1)N(CCO)CC(Br)=C2
InChIInChI=1S/C12H17BrN4O/c1-3-14-12-15-8(2)10-6-9(13)7-17(4-5-18)11(10)16-12/h6,18H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyKKGQGNGKIGUOIS-UHFFFAOYSA-N
XLogP1.76
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 886207
6-Bromo-8-ethyl-4-methyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 16124040
6-Bromo-2-[3-(dimethylamino)propylamino]-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 16124152
6-bromo-2-(ethylamino)-4-methyl-8-(1-methylethyl)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 16124463
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-(2-ethoxyethyl)-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 57448429
6-bromo-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 57930759
N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 67389320
6-Bromo-2-(ethylamino)-4-methyl-8-propylpyrido[2,3-d]pyrimidin-7-one
CID 68746632
3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol
CID 69009238

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol?
The IUPAC name of 2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol (CID 141201576) is 2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol.
What is the SMILES notation for 2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol?
The canonical SMILES for 2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol is CCNc1nc(C)c2c(n1)N(CCO)CC(Br)=C2.
What is the InChIKey of 2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol?
The InChIKey is KKGQGNGKIGUOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c1-3-14-12-15-8(2)10-6-9(13)7-17(4-5-18)11(10)16-12/h6,18H,3-5,7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol?
2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol has a molecular weight of 313.20 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]ethanol is sourced from PubChem (CID 141201576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).