4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine

C16H18N6 — CID 16910978

IUPAC4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine
SMILESCCNc1nc(Nc2cc(C)ccc2C)c2nccnc2n1
InChIInChI=1S/C16H18N6/c1-4-17-16-21-14-13(18-7-8-19-14)15(22-16)20-12-9-10(2)5-6-11(12)3/h5-9H,4H2,1-3H3,(H2,17,19,20,21,22)
InChIKeyKJZVGHBPCYLKQP-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.21
Rot. Bonds4

About 4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine

4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine (PubChem CID 16910978) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine
PubChem CID16910978
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine
SMILESCCNc1nc(Nc2cc(C)ccc2C)c2nccnc2n1
InChIInChI=1S/C16H18N6/c1-4-17-16-21-14-13(18-7-8-19-14)15(22-16)20-12-9-10(2)5-6-11(12)3/h5-9H,4H2,1-3H3,(H2,17,19,20,21,22)
InChIKeyKJZVGHBPCYLKQP-UHFFFAOYSA-N
XLogP3.21
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine
CID 16910992
4-N-(2,5-dimethylphenyl)-2-N-(3-methylbutyl)pteridine-2,4-diamine
CID 16911002
4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16911015
4-N-(2,5-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80763434
2-N-(2,5-dimethylphenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589380
4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910921
4-N-(2,5-dimethylphenyl)-2-N-[(3R)-1,1-dioxothiolan-3-yl]pteridine-2,4-diamine
CID 52904705
2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol
CID 16910970
4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760884
4-N-(2,5-dimethylphenyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80763023
4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910744
4-N-(4-chloro-2-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16911051

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine (CID 16910978) is 4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine is CCNc1nc(Nc2cc(C)ccc2C)c2nccnc2n1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine?
The InChIKey is KJZVGHBPCYLKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-4-17-16-21-14-13(18-7-8-19-14)15(22-16)20-12-9-10(2)5-6-11(12)3/h5-9H,4H2,1-3H3,(H2,17,19,20,21,22).
What are the key properties of 4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine?
4-N-(2,5-dimethylphenyl)-2-N-ethylpteridine-2,4-diamine has a molecular weight of 294.36 g/mol, XLogP of 3.21, 4 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-ethylpteridine-2,4-diamine is sourced from PubChem (CID 16910978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).