4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine

C22H27N5 — CID 112902163

IUPAC4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2ccnc(N(C)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C22H27N5/c1-5-27(6-2)19-12-13-20(17(3)16-19)24-21-14-15-23-22(25-21)26(4)18-10-8-7-9-11-18/h7-16H,5-6H2,1-4H3,(H,23,24,25)
InChIKeyWZLUITXPSNFNSU-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.14
Rot. Bonds7

About 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine

4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112902163) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112902163
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2ccnc(N(C)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C22H27N5/c1-5-27(6-2)19-12-13-20(17(3)16-19)24-21-14-15-23-22(25-21)26(4)18-10-8-7-9-11-18/h7-16H,5-6H2,1-4H3,(H,23,24,25)
InChIKeyWZLUITXPSNFNSU-UHFFFAOYSA-N
XLogP5.14
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.14
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

2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902106
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine
CID 112881982
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890511
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906512
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906499
4-[4-[4-(diethylamino)-2-methylanilino]pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112888796
4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902119
6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356508
5-N-(2,4-dimethylphenyl)-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112962462
4-N-(4-bromo-3-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902148
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892245
4-N-(4-ethoxyphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902126

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine (CID 112902163) is 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine is CCN(CC)c1ccc(Nc2ccnc(N(C)c3ccccc3)n2)c(C)c1.
What is the InChIKey of 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is WZLUITXPSNFNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-5-27(6-2)19-12-13-20(17(3)16-19)24-21-14-15-23-22(25-21)26(4)18-10-8-7-9-11-18/h7-16H,5-6H2,1-4H3,(H,23,24,25).
What are the key properties of 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 361.49 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112902163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).