6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

C20H21N5O2 — CID 109358760

IUPAC6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Nc2ccc(N(C)C)cc2)ncn1
InChIInChI=1S/C20H21N5O2/c1-25(2)15-10-8-14(9-11-15)23-19-12-17(21-13-22-19)20(26)24-16-6-4-5-7-18(16)27-3/h4-13H,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyMSWDPVPCNRRDFZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.55
Rot. Bonds6

About 6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide

6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109358760) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109358760
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(Nc2ccc(N(C)C)cc2)ncn1
InChIInChI=1S/C20H21N5O2/c1-25(2)15-10-8-14(9-11-15)23-19-12-17(21-13-22-19)20(26)24-16-6-4-5-7-18(16)27-3/h4-13H,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyMSWDPVPCNRRDFZ-UHFFFAOYSA-N
XLogP3.55
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.55
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-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358673
6-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351274
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356981
2-N-[4-(dimethylamino)phenyl]-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092996
6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358777
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
N-(2-ethoxyphenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356224
6-(2,4-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358773
6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
N-(4-tert-butylphenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109357788

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide (CID 109358760) is 6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1cc(Nc2ccc(N(C)C)cc2)ncn1.
What is the InChIKey of 6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is MSWDPVPCNRRDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-25(2)15-10-8-14(9-11-15)23-19-12-17(21-13-22-19)20(26)24-16-6-4-5-7-18(16)27-3/h4-13H,1-3H3,(H,24,26)(H,21,22,23).
What are the key properties of 6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide?
6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)anilino]-N-(2-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).