2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine

C22H30N6 — CID 16910879

IUPAC2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(Nc2ccc(C)c(C)c2)c2nccnc2n1
InChIInChI=1S/C22H30N6/c1-5-7-13-28(14-8-6-2)22-26-20-19(23-11-12-24-20)21(27-22)25-18-10-9-16(3)17(4)15-18/h9-12,15H,5-8,13-14H2,1-4H3,(H,24,25,26,27)
InChIKeyXVRSTXIKMLLTFB-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.19
Rot. Bonds9

About 2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine

2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine (PubChem CID 16910879) has the molecular formula C22H30N6 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine
PubChem CID16910879
Molecular FormulaC22H30N6
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC Name2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(Nc2ccc(C)c(C)c2)c2nccnc2n1
InChIInChI=1S/C22H30N6/c1-5-7-13-28(14-8-6-2)22-26-20-19(23-11-12-24-20)21(27-22)25-18-10-9-16(3)17(4)15-18/h9-12,15H,5-8,13-14H2,1-4H3,(H,24,25,26,27)
InChIKeyXVRSTXIKMLLTFB-UHFFFAOYSA-N
XLogP5.19
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine
CID 16910636
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine
CID 16910832
3-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-1-ol
CID 16910856
1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol
CID 16910874
4-N-(3,4-dimethylphenyl)-1-phenyl-6-N,6-N-dipropylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 17016959
4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16911015
6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80973603
N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333654
N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354751
2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine
CID 16910992
4-N-(3-chloro-4-methylphenyl)-2-N-(2-phenylethyl)pteridine-2,4-diamine
CID 16911130
4-N-(3-chloro-4-methylphenyl)-2-N-(4-chloro-2-methylphenyl)pteridine-2,4-diamine
CID 16911159

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine?
The IUPAC name of 2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine (CID 16910879) is 2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine is CCCCN(CCCC)c1nc(Nc2ccc(C)c(C)c2)c2nccnc2n1.
What is the InChIKey of 2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine?
The InChIKey is XVRSTXIKMLLTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6/c1-5-7-13-28(14-8-6-2)22-26-20-19(23-11-12-24-20)21(27-22)25-18-10-9-16(3)17(4)15-18/h9-12,15H,5-8,13-14H2,1-4H3,(H,24,25,26,27).
What are the key properties of 2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine?
2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine has a molecular weight of 378.52 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine is sourced from PubChem (CID 16910879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).