N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide

C20H20FN5O — CID 27478428

IUPACN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)n1
InChIInChI=1S/C20H20FN5O/c1-13-11-18(26(2)3)25-20(22-13)24-17-9-7-16(8-10-17)23-19(27)14-5-4-6-15(21)12-14/h4-12H,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyPUKMNWKIPGGDLL-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.99
Rot. Bonds5

About N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide (PubChem CID 27478428) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide
PubChem CID27478428
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)n1
InChIInChI=1S/C20H20FN5O/c1-13-11-18(26(2)3)25-20(22-13)24-17-9-7-16(8-10-17)23-19(27)14-5-4-6-15(21)12-14/h4-12H,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyPUKMNWKIPGGDLL-UHFFFAOYSA-N
XLogP3.99
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide (CID 27478428) is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide is Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)n1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide?
The InChIKey is PUKMNWKIPGGDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-13-11-18(26(2)3)25-20(22-13)24-17-9-7-16(8-10-17)23-19(27)14-5-4-6-15(21)12-14/h4-12H,1-3H3,(H,23,27)(H,22,24,25).
What are the key properties of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide?
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide has a molecular weight of 365.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 27478428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).