2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

C23H29N5O — CID 112930478

IUPAC2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(C)cc(Nc3ccccc3OC)n2)c(C)c1
InChIInChI=1S/C23H29N5O/c1-6-28(7-2)18-12-13-19(16(3)14-18)26-23-24-17(4)15-22(27-23)25-20-10-8-9-11-21(20)29-5/h8-15H,6-7H2,1-5H3,(H2,24,25,26,27)
InChIKeyILLGFHUUPSSTGF-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.44
Rot. Bonds8

About 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112930478) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112930478
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(C)cc(Nc3ccccc3OC)n2)c(C)c1
InChIInChI=1S/C23H29N5O/c1-6-28(7-2)18-12-13-19(16(3)14-18)26-23-24-17(4)15-22(27-23)25-20-10-8-9-11-21(20)29-5/h8-15H,6-7H2,1-5H3,(H2,24,25,26,27)
InChIKeyILLGFHUUPSSTGF-UHFFFAOYSA-N
XLogP5.44
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)phenyl]-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930510
5-N-[4-(diethylamino)-2-methylphenyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967184
2-N-(4-chloro-2-methylphenyl)-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930048
2-N-[4-(diethylamino)-2-methylphenyl]-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112932287
4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930517
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892245
4-N-(4-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930019
4-N-(2-methoxy-5-methylphenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927111
4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908202
2-[[2-(2-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930539
4-N-(2-methoxyphenyl)-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112930468
4-N-(3,4-difluorophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930545

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 112930478) is 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is CCN(CC)c1ccc(Nc2nc(C)cc(Nc3ccccc3OC)n2)c(C)c1.
What is the InChIKey of 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is ILLGFHUUPSSTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-6-28(7-2)18-12-13-19(16(3)14-18)26-23-24-17(4)15-22(27-23)25-20-10-8-9-11-21(20)29-5/h8-15H,6-7H2,1-5H3,(H2,24,25,26,27).
What are the key properties of 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 391.52 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112930478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).