6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine

C27H38N8O — CID 71479252

IUPAC6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine
SMILESCc1nc2nc(-c3ccc(N4CCN(C)CC4)cc3)nc(NCCCCN3CCOCC3)c2nc1C
InChIInChI=1S/C27H38N8O/c1-20-21(2)30-27-24(29-20)26(28-10-4-5-11-34-16-18-36-19-17-34)31-25(32-27)22-6-8-23(9-7-22)35-14-12-33(3)13-15-35/h6-9H,4-5,10-19H2,1-3H3,(H,28,30,31,32)
InChIKeyGXEUMNLCBXVEHM-UHFFFAOYSA-N
MW490.66 g/mol
LogP2.98
Rot. Bonds8

About 6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine

6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine (PubChem CID 71479252) has the molecular formula C27H38N8O and a molecular weight of 490.66 g/mol. Its IUPAC name is 6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine.

Molecular Properties

Compound Name6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine
PubChem CID71479252
Molecular FormulaC27H38N8O
Molecular Weight490.66 g/mol
Exact Mass490.32
IUPAC Name6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine
SMILESCc1nc2nc(-c3ccc(N4CCN(C)CC4)cc3)nc(NCCCCN3CCOCC3)c2nc1C
InChIInChI=1S/C27H38N8O/c1-20-21(2)30-27-24(29-20)26(28-10-4-5-11-34-16-18-36-19-17-34)31-25(32-27)22-6-8-23(9-7-22)35-14-12-33(3)13-15-35/h6-9H,4-5,10-19H2,1-3H3,(H,28,30,31,32)
InChIKeyGXEUMNLCBXVEHM-UHFFFAOYSA-N
XLogP2.98
TPSA82.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.66
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

7-(4-methylpiperazin-1-yl)-4-N,6-N-bis(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6-diamine
CID 71111903
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
CID 71109457
5,6-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(2-pyrrolidin-1-ylethoxy)ethyl]pyrimidin-4-amine
CID 53390397
4-[3-[4-ethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
CID 54760478
8,9-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-[4-(1H-pyrrol-3-yl)butyl]purin-6-amine
CID 71478723
2,3-dihydroxybutanedioic acid;6,7-dimethoxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 25128005
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827958
4-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]morpholine
CID 170869835
4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine
CID 71479317
3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine
CID 25204039
1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine
CID 56816150
5-methyl-2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 77435717

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine?
The IUPAC name of 6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine (CID 71479252) is 6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine.
What is the SMILES notation for 6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine?
The canonical SMILES for 6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine is Cc1nc2nc(-c3ccc(N4CCN(C)CC4)cc3)nc(NCCCCN3CCOCC3)c2nc1C.
What is the InChIKey of 6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine?
The InChIKey is GXEUMNLCBXVEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N8O/c1-20-21(2)30-27-24(29-20)26(28-10-4-5-11-34-16-18-36-19-17-34)31-25(32-27)22-6-8-23(9-7-22)35-14-12-33(3)13-15-35/h6-9H,4-5,10-19H2,1-3H3,(H,28,30,31,32).
What are the key properties of 6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine?
6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine has a molecular weight of 490.66 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine is sourced from PubChem (CID 71479252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).