2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide

C20H28N4O2 — CID 54851875

IUPAC2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
SMILESCCCCCCOc1ccccc1-c1nc(N)nc(C)c1C(=O)N(C)C
InChIInChI=1S/C20H28N4O2/c1-5-6-7-10-13-26-16-12-9-8-11-15(16)18-17(19(25)24(3)4)14(2)22-20(21)23-18/h8-9,11-12H,5-7,10,13H2,1-4H3,(H2,21,22,23)
InChIKeySCTIVJADWLAVRG-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.70
Rot. Bonds8

About 2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide

2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide (PubChem CID 54851875) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
PubChem CID54851875
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
SMILESCCCCCCOc1ccccc1-c1nc(N)nc(C)c1C(=O)N(C)C
InChIInChI=1S/C20H28N4O2/c1-5-6-7-10-13-26-16-12-9-8-11-15(16)18-17(19(25)24(3)4)14(2)22-20(21)23-18/h8-9,11-12H,5-7,10,13H2,1-4H3,(H2,21,22,23)
InChIKeySCTIVJADWLAVRG-UHFFFAOYSA-N
XLogP3.70
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852026
2-amino-4-(2-ethoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853820
2-amino-N,N-diethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54854046
ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 54851455
2-amino-4-(2-bromophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852429
2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853960
2,4-diamino-6-(2-hexoxyphenyl)pyrimidine-5-carbonitrile
CID 169397618
ethyl 2-amino-4-methyl-6-[2-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851288
2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853653
2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852183

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide (CID 54851875) is 2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide is CCCCCCOc1ccccc1-c1nc(N)nc(C)c1C(=O)N(C)C.
What is the InChIKey of 2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
The InChIKey is SCTIVJADWLAVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-5-6-7-10-13-26-16-12-9-8-11-15(16)18-17(19(25)24(3)4)14(2)22-20(21)23-18/h8-9,11-12H,5-7,10,13H2,1-4H3,(H2,21,22,23).
What are the key properties of 2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 54851875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).