2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine

C20H26N6O — CID 112932287

IUPAC2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(C)cc(Nc3cc(C)on3)n2)c(C)c1
InChIInChI=1S/C20H26N6O/c1-6-26(7-2)16-8-9-17(13(3)10-16)22-20-21-14(4)11-18(24-20)23-19-12-15(5)27-25-19/h8-12H,6-7H2,1-5H3,(H2,21,22,23,24,25)
InChIKeyNORGTYISBFFMKT-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.72
Rot. Bonds7

About 2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine

2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 112932287) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
PubChem CID112932287
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(C)cc(Nc3cc(C)on3)n2)c(C)c1
InChIInChI=1S/C20H26N6O/c1-6-26(7-2)16-8-9-17(13(3)10-16)22-20-21-14(4)11-18(24-20)23-19-12-15(5)27-25-19/h8-12H,6-7H2,1-5H3,(H2,21,22,23,24,25)
InChIKeyNORGTYISBFFMKT-UHFFFAOYSA-N
XLogP4.72
TPSA79.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112930079
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930478
2-N-(2-ethylphenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112928662
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112928213
2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112929887
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112932237
azepan-1-yl-[2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidin-4-yl]methanone
CID 109334514
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294643
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109200907
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112932160
2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109144211
N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide
CID 109322269

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine (CID 112932287) is 2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine is CCN(CC)c1ccc(Nc2nc(C)cc(Nc3cc(C)on3)n2)c(C)c1.
What is the InChIKey of 2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is NORGTYISBFFMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-6-26(7-2)16-8-9-17(13(3)10-16)22-20-21-14(4)11-18(24-20)23-19-12-15(5)27-25-19/h8-12H,6-7H2,1-5H3,(H2,21,22,23,24,25).
What are the key properties of 2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine?
2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 366.47 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112932287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).