6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

C17H20F3N5O — CID 109366701

IUPAC6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCCCN(C)C)cc(C(=O)Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C17H20F3N5O/c1-10-22-13(9-14(23-10)21-7-4-8-25(2)3)17(26)24-12-6-5-11(18)15(19)16(12)20/h5-6,9H,4,7-8H2,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyBBLQAERNVLIUGZ-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.82
Rot. Bonds7

About 6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109366701) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
PubChem CID109366701
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NCCCN(C)C)cc(C(=O)Nc2ccc(F)c(F)c2F)n1
InChIInChI=1S/C17H20F3N5O/c1-10-22-13(9-14(23-10)21-7-4-8-25(2)3)17(26)24-12-6-5-11(18)15(19)16(12)20/h5-6,9H,4,7-8H2,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyBBLQAERNVLIUGZ-UHFFFAOYSA-N
XLogP2.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109366614
6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109366623
6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112849811
6-(3,4-difluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112851218
6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361367
6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109366606
N-(2-chloro-4,6-dimethylphenyl)-6-[3-(dimethylamino)propylamino]-2-methylpyrimidine-4-carboxamide
CID 109366648
N-(2,4-difluorophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365139
1-N-[3-(dimethylamino)propyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046073
6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109366141
N-(2,4-difluorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364780
N-(3,4-difluorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846806

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (CID 109366701) is 6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is Cc1nc(NCCCN(C)C)cc(C(=O)Nc2ccc(F)c(F)c2F)n1.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is BBLQAERNVLIUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-10-22-13(9-14(23-10)21-7-4-8-25(2)3)17(26)24-12-6-5-11(18)15(19)16(12)20/h5-6,9H,4,7-8H2,1-3H3,(H,24,26)(H,21,22,23).
What are the key properties of 6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109366701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).