N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide

C17H21F2N5O — CID 109325553

IUPACN-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(F)cccc2F)nc(NCCCN(C)C)n1
InChIInChI=1S/C17H21F2N5O/c1-11-10-14(22-17(21-11)20-8-5-9-24(2)3)16(25)23-15-12(18)6-4-7-13(15)19/h4,6-7,10H,5,8-9H2,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyHSJLFNMHJCMIFP-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.68
Rot. Bonds7

About N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide

N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109325553) has the molecular formula C17H21F2N5O and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109325553
Molecular FormulaC17H21F2N5O
Molecular Weight349.39 g/mol
Exact Mass349.17
IUPAC NameN-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(F)cccc2F)nc(NCCCN(C)C)n1
InChIInChI=1S/C17H21F2N5O/c1-11-10-14(22-17(21-11)20-8-5-9-24(2)3)16(25)23-15-12(18)6-4-7-13(15)19/h4,6-7,10H,5,8-9H2,1-3H3,(H,23,25)(H,20,21,22)
InChIKeyHSJLFNMHJCMIFP-UHFFFAOYSA-N
XLogP2.68
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325406
2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325183
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325499
N-[2-(3-chlorophenyl)ethyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325463
2-[3-(dimethylamino)propylamino]-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109325473
2-[3-(dimethylamino)propylamino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109325516
N-(3-cyanophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325549
N-(2-cyanophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325548
methyl 2-[[2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109325521
N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325294
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330696
2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320523

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide (CID 109325553) is N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2c(F)cccc2F)nc(NCCCN(C)C)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is HSJLFNMHJCMIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O/c1-11-10-14(22-17(21-11)20-8-5-9-24(2)3)16(25)23-15-12(18)6-4-7-13(15)19/h4,6-7,10H,5,8-9H2,1-3H3,(H,23,25)(H,20,21,22).
What are the key properties of N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide?
N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109325553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).