4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine

C15H18N4 — CID 112854964

IUPAC4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(Nc2ccc(C)cc2C)ncn1
InChIInChI=1S/C15H18N4/c1-4-7-16-14-9-15(18-10-17-14)19-13-6-5-11(2)8-12(13)3/h4-6,8-10H,1,7H2,2-3H3,(H2,16,17,18,19)
InChIKeyPNOAELCNXMIXIO-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.43
Rot. Bonds5

About 4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine

4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine (PubChem CID 112854964) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
PubChem CID112854964
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(Nc2ccc(C)cc2C)ncn1
InChIInChI=1S/C15H18N4/c1-4-7-16-14-9-15(18-10-17-14)19-13-6-5-11(2)8-12(13)3/h4-6,8-10H,1,7H2,2-3H3,(H2,16,17,18,19)
InChIKeyPNOAELCNXMIXIO-UHFFFAOYSA-N
XLogP3.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine (CID 112854964) is 4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine is C=CCNc1cc(Nc2ccc(C)cc2C)ncn1.
What is the InChIKey of 4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
The InChIKey is PNOAELCNXMIXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-4-7-16-14-9-15(18-10-17-14)19-13-6-5-11(2)8-12(13)3/h4-6,8-10H,1,7H2,2-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine?
4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine has a molecular weight of 254.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine is sourced from PubChem (CID 112854964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).