4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine

C17H18N6 — CID 16910921

IUPAC4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
SMILESC=CCNc1nc(Nc2ccc(C)cc2C)c2nccnc2n1
InChIInChI=1S/C17H18N6/c1-4-7-20-17-22-15-14(18-8-9-19-15)16(23-17)21-13-6-5-11(2)10-12(13)3/h4-6,8-10H,1,7H2,2-3H3,(H2,19,20,21,22,23)
InChIKeyDPKICYCTFXHFCP-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.38
Rot. Bonds5

About 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine

4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine (PubChem CID 16910921) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
PubChem CID16910921
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
SMILESC=CCNc1nc(Nc2ccc(C)cc2C)c2nccnc2n1
InChIInChI=1S/C17H18N6/c1-4-7-20-17-22-15-14(18-8-9-19-15)16(23-17)21-13-6-5-11(2)10-12(13)3/h4-6,8-10H,1,7H2,2-3H3,(H2,19,20,21,22,23)
InChIKeyDPKICYCTFXHFCP-UHFFFAOYSA-N
XLogP3.38
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16911051
4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910744
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-(3-methylbutyl)pteridine-2,4-diamine
CID 16911002
2-N,4-N-bis(4-chloro-2-methylphenyl)pteridine-2,4-diamine
CID 16911093
4-N-(4-chloro-2-methylphenyl)-2-N-(2-methylpropyl)pteridine-2,4-diamine
CID 16911069
1-[[4-(4-chloro-2-methylanilino)pteridin-2-yl]amino]propan-2-ol
CID 16911072
4-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pteridine-2,4-diamine
CID 16911015
2,4-dimethyl-N-prop-2-enylaniline
CID 11768869
4-N-(4-chloro-2-methylphenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pteridine-2,4-diamine
CID 16911060
4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854964

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine (CID 16910921) is 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine is C=CCNc1nc(Nc2ccc(C)cc2C)c2nccnc2n1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine?
The InChIKey is DPKICYCTFXHFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-4-7-20-17-22-15-14(18-8-9-19-15)16(23-17)21-13-6-5-11(2)10-12(13)3/h4-6,8-10H,1,7H2,2-3H3,(H2,19,20,21,22,23).
What are the key properties of 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine?
4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine has a molecular weight of 306.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine is sourced from PubChem (CID 16910921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).