3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol

C13H19BrN4O — CID 69009238

IUPAC3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol
SMILESCCNc1nc(C)c2c(n1)N(CCCO)CC(Br)=C2
InChIInChI=1S/C13H19BrN4O/c1-3-15-13-16-9(2)11-7-10(14)8-18(5-4-6-19)12(11)17-13/h7,19H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyFBRHQYORFADPMP-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.16
Rot. Bonds5

About 3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol

3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol (PubChem CID 69009238) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol
PubChem CID69009238
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol
SMILESCCNc1nc(C)c2c(n1)N(CCCO)CC(Br)=C2
InChIInChI=1S/C13H19BrN4O/c1-3-15-13-16-9(2)11-7-10(14)8-18(5-4-6-19)12(11)17-13/h7,19H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyFBRHQYORFADPMP-UHFFFAOYSA-N
XLogP2.16
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol?
The IUPAC name of 3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol (CID 69009238) is 3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol.
What is the SMILES notation for 3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol?
The canonical SMILES for 3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol is CCNc1nc(C)c2c(n1)N(CCCO)CC(Br)=C2.
What is the InChIKey of 3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol?
The InChIKey is FBRHQYORFADPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-3-15-13-16-9(2)11-7-10(14)8-18(5-4-6-19)12(11)17-13/h7,19H,3-6,8H2,1-2H3,(H,15,16,17).
What are the key properties of 3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol?
3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol has a molecular weight of 327.23 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-bromo-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-8-yl]propan-1-ol is sourced from PubChem (CID 69009238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).