4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine

C16H23N5 — CID 80776616

IUPAC4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2ccc(N(C)C)cc2)c1C
InChIInChI=1S/C16H23N5/c1-5-10-17-15-12(2)16(19-11-18-15)20-13-6-8-14(9-7-13)21(3)4/h6-9,11H,5,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyLXZZTRIGEXBRDM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.42
Rot. Bonds6

About 4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80776616) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80776616
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2ccc(N(C)C)cc2)c1C
InChIInChI=1S/C16H23N5/c1-5-10-17-15-12(2)16(19-11-18-15)20-13-6-8-14(9-7-13)21(3)4/h6-9,11H,5,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyLXZZTRIGEXBRDM-UHFFFAOYSA-N
XLogP3.42
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80760533
4-N-(4-bromo-2-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80759265
4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 82802010
4-N-(2-methoxy-5-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80736748
4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80825088
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80767962
4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80779469
4-N-(4-ethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80779258
4-N-(4,4-dimethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80839629
4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80847611
4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
4-N-[4-(dimethylamino)phenyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80789763

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80776616) is 4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(Nc2ccc(N(C)C)cc2)c1C.
What is the InChIKey of 4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is LXZZTRIGEXBRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-5-10-17-15-12(2)16(19-11-18-15)20-13-6-8-14(9-7-13)21(3)4/h6-9,11H,5,10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80776616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).