4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine

C19H24N6 — CID 16911002

IUPAC4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine
SMILESCc1ccc(C)c(Nc2nc(NCCC(C)C)nc3nccnc23)c1
InChIInChI=1S/C19H24N6/c1-12(2)7-8-22-19-24-17-16(20-9-10-21-17)18(25-19)23-15-11-13(3)5-6-14(15)4/h5-6,9-12H,7-8H2,1-4H3,(H2,21,22,23,24,25)
InChIKeyJCUWMXMDLBLNTJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.24
Rot. Bonds6

About 4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine

4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine (PubChem CID 16911002) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine
PubChem CID16911002
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine
SMILESCc1ccc(C)c(Nc2nc(NCCC(C)C)nc3nccnc23)c1
InChIInChI=1S/C19H24N6/c1-12(2)7-8-22-19-24-17-16(20-9-10-21-17)18(25-19)23-15-11-13(3)5-6-14(15)4/h5-6,9-12H,7-8H2,1-4H3,(H2,21,22,23,24,25)
InChIKeyJCUWMXMDLBLNTJ-UHFFFAOYSA-N
XLogP4.24
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine
CID 16910978
2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine
CID 16910992
4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16911015
4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910921
4-N-(4-chloro-2-methylphenyl)-2-N-(2-methylpropyl)pteridine-2,4-diamine
CID 16911069
4-N-(2,5-dimethylphenyl)-2-N-[(3R)-1,1-dioxothiolan-3-yl]pteridine-2,4-diamine
CID 52904705
5-N-(2,5-dimethylphenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
CID 112959689
1-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-2-ol
CID 16910874
1-[[4-(4-chloro-2-methylanilino)pteridin-2-yl]amino]propan-2-ol
CID 16911072
3-[[4-(3,4-dimethylanilino)pteridin-2-yl]amino]propan-1-ol
CID 16910856
4-N-(2,5-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80763434
2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol
CID 16910970

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine (CID 16911002) is 4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine is Cc1ccc(C)c(Nc2nc(NCCC(C)C)nc3nccnc23)c1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine?
The InChIKey is JCUWMXMDLBLNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-12(2)7-8-22-19-24-17-16(20-9-10-21-17)18(25-19)23-15-11-13(3)5-6-14(15)4/h5-6,9-12H,7-8H2,1-4H3,(H2,21,22,23,24,25).
What are the key properties of 4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine?
4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine has a molecular weight of 336.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine is sourced from PubChem (CID 16911002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).