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

C22H27N5 — CID 112902106

IUPAC2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2nccc(N(C)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C22H27N5/c1-5-27(6-2)19-12-13-20(17(3)16-19)24-22-23-15-14-21(25-22)26(4)18-10-8-7-9-11-18/h7-16H,5-6H2,1-4H3,(H,23,24,25)
InChIKeyHUKYGFVOFKIZGR-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.14
Rot. Bonds7

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

2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112902106) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112902106
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2nccc(N(C)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C22H27N5/c1-5-27(6-2)19-12-13-20(17(3)16-19)24-22-23-15-14-21(25-22)26(4)18-10-8-7-9-11-18/h7-16H,5-6H2,1-4H3,(H,23,24,25)
InChIKeyHUKYGFVOFKIZGR-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

4-N-[4-(diethylamino)-2-methylphenyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902163
4-N-(4-aminophenyl)-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 123582073
2-N-(2-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902024
2-N-(3,4-dimethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902020
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892245
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906499
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906512
2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109313491
4-N-methyl-4-N-phenyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112902028
4-N,4-N-diethyl-1-N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-2-methylbenzene-1,4-diamine
CID 112900923
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-propylpyrimidine-2,4-diamine
CID 112881982
4-[2-[4-(diethylamino)-2-methylanilino]pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302967

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine (CID 112902106) is 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine is CCN(CC)c1ccc(Nc2nccc(N(C)c3ccccc3)n2)c(C)c1.
What is the InChIKey of 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is HUKYGFVOFKIZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-5-27(6-2)19-12-13-20(17(3)16-19)24-22-23-15-14-21(25-22)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 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-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 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112902106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).