N-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide

C14H13FN4O2 — CID 123600878

IUPACN-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide
SMILESCc1nc(CN=O)cc(C(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C14H13FN4O2/c1-9-18-12(8-17-21)6-13(19-9)14(20)16-7-10-3-2-4-11(15)5-10/h2-6H,7-8H2,1H3,(H,16,20)
InChIKeyKBRINJZZXWMDBG-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.12
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide

N-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide (PubChem CID 123600878) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide
PubChem CID123600878
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC NameN-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide
SMILESCc1nc(CN=O)cc(C(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C14H13FN4O2/c1-9-18-12(8-17-21)6-13(19-9)14(20)16-7-10-3-2-4-11(15)5-10/h2-6H,7-8H2,1H3,(H,16,20)
InChIKeyKBRINJZZXWMDBG-UHFFFAOYSA-N
XLogP2.12
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[(3-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 71232258
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496743
4-N-[(3-fluorophenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide;hydrochloride
CID 157090160
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
2-chloro-N-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91820954
5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 63718583
N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368422
2-(3-fluoroanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327761
6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368872

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide (CID 123600878) is N-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide is Cc1nc(CN=O)cc(C(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide?
The InChIKey is KBRINJZZXWMDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-9-18-12(8-17-21)6-13(19-9)14(20)16-7-10-3-2-4-11(15)5-10/h2-6H,7-8H2,1H3,(H,16,20).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide?
N-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide has a molecular weight of 288.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-methyl-6-(nitrosomethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 123600878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).