6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine

C22H27N5 — CID 112881588

IUPAC6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2ccc(N(C)C)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H27N5/c1-5-27(6-2)21-16-20(23-18-12-14-19(15-13-18)26(3)4)24-22(25-21)17-10-8-7-9-11-17/h7-16H,5-6H2,1-4H3,(H,23,24,25)
InChIKeyVWXQBFPUDUKKNQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.80
Rot. Bonds7

About 6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine

6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine (PubChem CID 112881588) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine
PubChem CID112881588
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine
SMILESCCN(CC)c1cc(Nc2ccc(N(C)C)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H27N5/c1-5-27(6-2)21-16-20(23-18-12-14-19(15-13-18)26(3)4)24-22(25-21)17-10-8-7-9-11-17/h7-16H,5-6H2,1-4H3,(H,23,24,25)
InChIKeyVWXQBFPUDUKKNQ-UHFFFAOYSA-N
XLogP4.80
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.80
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

N-[4-[[6-(diethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112881584
4-N,4-N-diethyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879230
4-N,4-N-diethyl-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
CID 112879814
N,N-diethyl-2,6-diphenylpyrimidin-4-amine
CID 2057498
6-N-[4-(diethylamino)phenyl]-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877193
6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine
CID 796090
[6-[4-(dimethylamino)anilino]-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112852780
N-ethyl-6-hydrazinyl-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 115916099
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112865025
2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937720
4-N,4-N-diethyl-6-N-[2-(4-methoxyphenoxy)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112881558

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine (CID 112881588) is 6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine is CCN(CC)c1cc(Nc2ccc(N(C)C)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine?
The InChIKey is VWXQBFPUDUKKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-5-27(6-2)21-16-20(23-18-12-14-19(15-13-18)26(3)4)24-22(25-21)17-10-8-7-9-11-17/h7-16H,5-6H2,1-4H3,(H,23,24,25).
What are the key properties of 6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine?
6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine has a molecular weight of 361.49 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(dimethylamino)phenyl]-4-N,4-N-diethyl-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112881588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).