N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide

C20H19FN4O — CID 109255942

IUPACN-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1cccc(CNc2ncc(C(=O)NCc3ccccc3F)cn2)c1
InChIInChI=1S/C20H19FN4O/c1-14-5-4-6-15(9-14)10-23-20-24-12-17(13-25-20)19(26)22-11-16-7-2-3-8-18(16)21/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyAEBOASBXZUOEPV-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.47
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide

N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109255942) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109255942
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1cccc(CNc2ncc(C(=O)NCc3ccccc3F)cn2)c1
InChIInChI=1S/C20H19FN4O/c1-14-5-4-6-15(9-14)10-23-20-24-12-17(13-25-20)19(26)22-11-16-7-2-3-8-18(16)21/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyAEBOASBXZUOEPV-UHFFFAOYSA-N
XLogP3.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255820
2-(benzylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255377
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255808
6-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109155884
2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109248264
2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255987
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
CID 109246495
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109256911
N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247875
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide (CID 109255942) is N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide is Cc1cccc(CNc2ncc(C(=O)NCc3ccccc3F)cn2)c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is AEBOASBXZUOEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-14-5-4-6-15(9-14)10-23-20-24-12-17(13-25-20)19(26)22-11-16-7-2-3-8-18(16)21/h2-9,12-13H,10-11H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide?
N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).