4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine

C14H15BrN4 — CID 112908006

IUPAC4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nc(C)cc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C14H15BrN4/c1-3-8-16-14-17-10(2)9-13(19-14)18-12-6-4-11(15)5-7-12/h3-7,9H,1,8H2,2H3,(H2,16,17,18,19)
InChIKeyPASCAFUBTXGJLP-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.89
Rot. Bonds5

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

4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine (PubChem CID 112908006) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
PubChem CID112908006
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCNc1nc(C)cc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C14H15BrN4/c1-3-8-16-14-17-10(2)9-13(19-14)18-12-6-4-11(15)5-7-12/h3-7,9H,1,8H2,2H3,(H2,16,17,18,19)
InChIKeyPASCAFUBTXGJLP-UHFFFAOYSA-N
XLogP3.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-chlorophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907997
6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
CID 112907684
4-N-(4-bromophenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919960
3-[[6-methyl-2-(prop-2-enylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112908070
2-N-(4-bromophenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928671
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112908076
methyl 3-[[6-methyl-2-(prop-2-enylamino)pyrimidin-4-yl]amino]benzoate
CID 112908027
4-N-(4-bromophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928421
2-N-[(E)-but-2-enyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 19754196
4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112908017
4-N-(4-bromophenyl)-2-N-(3-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929746
4-N-(4-bromophenyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916834

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine (CID 112908006) is 4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine is C=CCNc1nc(C)cc(Nc2ccc(Br)cc2)n1.
What is the InChIKey of 4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The InChIKey is PASCAFUBTXGJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c1-3-8-16-14-17-10(2)9-13(19-14)18-12-6-4-11(15)5-7-12/h3-7,9H,1,8H2,2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine has a molecular weight of 319.21 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine is sourced from PubChem (CID 112908006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).