6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

C22H24N4O3 — CID 109373626

IUPAC6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCOc1ccc(OCCNc2cc(C(=O)N(C)c3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-24-20(22(27)26(2)17-7-5-4-6-8-17)15-21(25-16)23-13-14-29-19-11-9-18(28-3)10-12-19/h4-12,15H,13-14H2,1-3H3,(H,23,24,25)
InChIKeyACAONQGAOVNENR-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.56
Rot. Bonds8

About 6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109373626) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109373626
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCOc1ccc(OCCNc2cc(C(=O)N(C)c3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C22H24N4O3/c1-16-24-20(22(27)26(2)17-7-5-4-6-8-17)15-21(25-16)23-13-14-29-19-11-9-18(28-3)10-12-19/h4-12,15H,13-14H2,1-3H3,(H,23,24,25)
InChIKeyACAONQGAOVNENR-UHFFFAOYSA-N
XLogP3.56
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370374
N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373533
6-[(2-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370228
2-[2-(4-methoxyphenoxy)ethylamino]-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109262794
4-[6-[2-(4-methoxyphenoxy)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109367610
N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109370385
6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848571
6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109367985
6-N-[2-(dimethylamino)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870237
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
N-ethyl-5-[2-(4-methoxyphenoxy)ethylamino]-N-phenylpyrazine-2-carboxamide
CID 109287186
6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848621

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (CID 109373626) is 6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is COc1ccc(OCCNc2cc(C(=O)N(C)c3ccccc3)nc(C)n2)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is ACAONQGAOVNENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-24-20(22(27)26(2)17-7-5-4-6-8-17)15-21(25-16)23-13-14-29-19-11-9-18(28-3)10-12-19/h4-12,15H,13-14H2,1-3H3,(H,23,24,25).
What are the key properties of 6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).