6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine

C21H25N5 — CID 112865025

IUPAC6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(CC)c1ccc(Nc2cc(N(C)c3ccccc3)ncn2)cc1
InChIInChI=1S/C21H25N5/c1-4-26(5-2)19-13-11-17(12-14-19)24-20-15-21(23-16-22-20)25(3)18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyHFKNLNWFPBPFEN-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.83
Rot. Bonds7

About 6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine

6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112865025) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112865025
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCN(CC)c1ccc(Nc2cc(N(C)c3ccccc3)ncn2)cc1
InChIInChI=1S/C21H25N5/c1-4-26(5-2)19-13-11-17(12-14-19)24-20-15-21(23-16-22-20)25(3)18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyHFKNLNWFPBPFEN-UHFFFAOYSA-N
XLogP4.83
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
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

6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112864985
6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877193
4-N,4-N-diethyl-6-N-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112863464
4-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 66669959
6-N-(3-chloro-4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112864998
1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865016
4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine
CID 112864777
6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115264271
4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 112855591
6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863765
4-[[6-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]benzonitrile
CID 112860551
1-(6-anilinopyrimidin-4-yl)-3-N-[4-(diethylamino)phenyl]-1,2,4-triazole-3,5-diamine
CID 58976761

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine (CID 112865025) is 6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine is CCN(CC)c1ccc(Nc2cc(N(C)c3ccccc3)ncn2)cc1.
What is the InChIKey of 6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is HFKNLNWFPBPFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-4-26(5-2)19-13-11-17(12-14-19)24-20-15-21(23-16-22-20)25(3)18-9-7-6-8-10-18/h6-16H,4-5H2,1-3H3,(H,22,23,24).
What are the key properties of 6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 347.47 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112865025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).