6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine

C17H25N5O — CID 154564940

IUPAC6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine
SMILESCCCOCCN1CCN(c2ncnc3ccc(C)nc23)CC1
InChIInChI=1S/C17H25N5O/c1-3-11-23-12-10-21-6-8-22(9-7-21)17-16-15(18-13-19-17)5-4-14(2)20-16/h4-5,13H,3,6-12H2,1-2H3
InChIKeyARHGSNOEMIJAIY-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.88
Rot. Bonds6

About 6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine

6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine (PubChem CID 154564940) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine
PubChem CID154564940
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine
SMILESCCCOCCN1CCN(c2ncnc3ccc(C)nc23)CC1
InChIInChI=1S/C17H25N5O/c1-3-11-23-12-10-21-6-8-22(9-7-21)17-16-15(18-13-19-17)5-4-14(2)20-16/h4-5,13H,3,6-12H2,1-2H3
InChIKeyARHGSNOEMIJAIY-UHFFFAOYSA-N
XLogP1.88
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]pyrido[3,2-d]pyrimidine
CID 146040314
1,3-dimethyl-8-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 155501885
2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 154822358
[4-methyl-5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 154570620
5-[1-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-1H-1,2,4-triazol-3-amine
CID 154563734
4-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 126862042
6-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidine
CID 146045939
3,7-dimethyl-11-(6-methylpyrido[3,2-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane
CID 154820856
2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
CID 86976676
6-methyl-N-(1-propylpyrrolidin-3-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 154823543
4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133408246
5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80757172

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine?
The IUPAC name of 6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine (CID 154564940) is 6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine?
The canonical SMILES for 6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine is CCCOCCN1CCN(c2ncnc3ccc(C)nc23)CC1.
What is the InChIKey of 6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine?
The InChIKey is ARHGSNOEMIJAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-11-23-12-10-21-6-8-22(9-7-21)17-16-15(18-13-19-17)5-4-14(2)20-16/h4-5,13H,3,6-12H2,1-2H3.
What are the key properties of 6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine?
6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine has a molecular weight of 315.42 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-(2-propoxyethyl)piperazin-1-yl]pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 154564940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).