N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine

C15H24BrN5 — CID 67389320

IUPACN-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCN1CC(Br)=Cc2c(C)nc(NCCCN(C)C)nc21
InChIInChI=1S/C15H24BrN5/c1-5-21-10-12(16)9-13-11(2)18-15(19-14(13)21)17-7-6-8-20(3)4/h9H,5-8,10H2,1-4H3,(H,17,18,19)
InChIKeyWABBQGKUVNGVOX-UHFFFAOYSA-N
MW354.30 g/mol
LogP2.72
Rot. Bonds6

About N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine

N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 67389320) has the molecular formula C15H24BrN5 and a molecular weight of 354.30 g/mol. Its IUPAC name is N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID67389320
Molecular FormulaC15H24BrN5
Molecular Weight354.30 g/mol
Exact Mass353.12
IUPAC NameN-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCCN1CC(Br)=Cc2c(C)nc(NCCCN(C)C)nc21
InChIInChI=1S/C15H24BrN5/c1-5-21-10-12(16)9-13-11(2)18-15(19-14(13)21)17-7-6-8-20(3)4/h9H,5-8,10H2,1-4H3,(H,17,18,19)
InChIKeyWABBQGKUVNGVOX-UHFFFAOYSA-N
XLogP2.72
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine (CID 67389320) is N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine is CCN1CC(Br)=Cc2c(C)nc(NCCCN(C)C)nc21.
What is the InChIKey of N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is WABBQGKUVNGVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN5/c1-5-21-10-12(16)9-13-11(2)18-15(19-14(13)21)17-7-6-8-20(3)4/h9H,5-8,10H2,1-4H3,(H,17,18,19).
What are the key properties of N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 354.30 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-8-ethyl-4-methyl-7H-pyrido[2,3-d]pyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 67389320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).