4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine

C16H23N5 — CID 64829117

IUPAC4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)N(Cc1ccc(N)cc1)c1ccnc(N(C)C)n1
InChIInChI=1S/C16H23N5/c1-12(2)21(11-13-5-7-14(17)8-6-13)15-9-10-18-16(19-15)20(3)4/h5-10,12H,11,17H2,1-4H3
InChIKeyLYIAWYAGBCSUMJ-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.54
Rot. Bonds5

About 4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine

4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 64829117) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID64829117
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)N(Cc1ccc(N)cc1)c1ccnc(N(C)C)n1
InChIInChI=1S/C16H23N5/c1-12(2)21(11-13-5-7-14(17)8-6-13)15-9-10-18-16(19-15)20(3)4/h5-10,12H,11,17H2,1-4H3
InChIKeyLYIAWYAGBCSUMJ-UHFFFAOYSA-N
XLogP2.54
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 64829117) is 4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)N(Cc1ccc(N)cc1)c1ccnc(N(C)C)n1.
What is the InChIKey of 4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is LYIAWYAGBCSUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(2)21(11-13-5-7-14(17)8-6-13)15-9-10-18-16(19-15)20(3)4/h5-10,12H,11,17H2,1-4H3.
What are the key properties of 4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 285.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 64829117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).