N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide

C22H24N4O2 — CID 109351316

IUPACN-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NCCc2cccc(OC)c2)ncn1)c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-3-26(18-9-5-4-6-10-18)22(27)20-15-21(25-16-24-20)23-13-12-17-8-7-11-19(14-17)28-2/h4-11,14-16H,3,12-13H2,1-2H3,(H,23,24,25)
InChIKeyBKUUVBIFBJHXPD-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.81
Rot. Bonds8

About N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide

N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide (PubChem CID 109351316) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
PubChem CID109351316
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NCCc2cccc(OC)c2)ncn1)c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-3-26(18-9-5-4-6-10-18)22(27)20-15-21(25-16-24-20)23-13-12-17-8-7-11-19(14-17)28-2/h4-11,14-16H,3,12-13H2,1-2H3,(H,23,24,25)
InChIKeyBKUUVBIFBJHXPD-UHFFFAOYSA-N
XLogP3.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351301
6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109351295
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
CID 108900948
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340422
6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348949
6-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109351294
N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351338
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350844
N-benzyl-6-(3-methoxypropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109343247
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109351302
4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112860466
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351358

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide (CID 109351316) is N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1cc(NCCc2cccc(OC)c2)ncn1)c1ccccc1.
What is the InChIKey of N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide?
The InChIKey is BKUUVBIFBJHXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-26(18-9-5-4-6-10-18)22(27)20-15-21(25-16-24-20)23-13-12-17-8-7-11-19(14-17)28-2/h4-11,14-16H,3,12-13H2,1-2H3,(H,23,24,25).
What are the key properties of N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide?
N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109351316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).