4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine

C13H17N5 — CID 99980348

IUPAC4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(N)cc2)nc(C)n1
InChIInChI=1S/C13H17N5/c1-3-15-12-8-13(17-9(2)16-12)18-11-6-4-10(14)5-7-11/h4-8H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyOSUUSBQMUKBZPI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.54
Rot. Bonds4

About 4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine

4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine (PubChem CID 99980348) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
PubChem CID99980348
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(N)cc2)nc(C)n1
InChIInChI=1S/C13H17N5/c1-3-15-12-8-13(17-9(2)16-12)18-11-6-4-10(14)5-7-11/h4-8H,3,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyOSUUSBQMUKBZPI-UHFFFAOYSA-N
XLogP2.54
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.54
H-Bond Donors ≤ 53
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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Related Compounds

4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80767819
6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 80825643
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2,2-dimethylpropanamide
CID 122324032
4-N-(3,4-dimethoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80748315
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide
CID 122324029
4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile
CID 107794960
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122324238
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-iodobenzenesulfonamide
CID 122324445
4-bromo-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122324436
4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768233
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide
CID 122324368
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-(4-fluorophenyl)methanesulfonamide
CID 122324380

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine (CID 99980348) is 4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine is CCNc1cc(Nc2ccc(N)cc2)nc(C)n1.
What is the InChIKey of 4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
The InChIKey is OSUUSBQMUKBZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-3-15-12-8-13(17-9(2)16-12)18-11-6-4-10(14)5-7-11/h4-8H,3,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 99980348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).