N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide

C22H25N5O2 — CID 109351338

IUPACN-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)Nc3ccc(N(C)C)cc3)ncn2)c1
InChIInChI=1S/C22H25N5O2/c1-27(2)18-9-7-17(8-10-18)26-22(28)20-14-21(25-15-24-20)23-12-11-16-5-4-6-19(13-16)29-3/h4-10,13-15H,11-12H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyVOHSRSMRACCLPB-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.46
Rot. Bonds8

About N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide

N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109351338) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109351338
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)Nc3ccc(N(C)C)cc3)ncn2)c1
InChIInChI=1S/C22H25N5O2/c1-27(2)18-9-7-17(8-10-18)26-22(28)20-14-21(25-15-24-20)23-12-11-16-5-4-6-19(13-16)29-3/h4-10,13-15H,11-12H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyVOHSRSMRACCLPB-UHFFFAOYSA-N
XLogP3.46
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.46
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

6-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109351304
6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351301
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109351302
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340422
6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109351295
6-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109351294
6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348949
N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351316
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351358
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350844
N-[4-(dimethylamino)phenyl]-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214623
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352305

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide (CID 109351338) is N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide is COc1cccc(CCNc2cc(C(=O)Nc3ccc(N(C)C)cc3)ncn2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is VOHSRSMRACCLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-27(2)18-9-7-17(8-10-18)26-22(28)20-14-21(25-15-24-20)23-12-11-16-5-4-6-19(13-16)29-3/h4-10,13-15H,11-12H2,1-3H3,(H,26,28)(H,23,24,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-6-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109351338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).