N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide

C14H14FN3O2 — CID 91628554

IUPACN-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCCc2ccc(F)cc2)ncn1
InChIInChI=1S/C14H14FN3O2/c1-20-13-8-12(17-9-18-13)14(19)16-7-6-10-2-4-11(15)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,16,19)
InChIKeyVMZZQLZBSULDPM-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.60
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide (PubChem CID 91628554) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide
PubChem CID91628554
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NCCc2ccc(F)cc2)ncn1
InChIInChI=1S/C14H14FN3O2/c1-20-13-8-12(17-9-18-13)14(19)16-7-6-10-2-4-11(15)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,16,19)
InChIKeyVMZZQLZBSULDPM-UHFFFAOYSA-N
XLogP1.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351005
N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342768
6-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109348269
N-[2-(4-fluorophenyl)ethyl]-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338676
N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide
CID 91628561
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
N-[2-(4-fluorophenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351098
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206237
6-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109348267
N-[2-(4-fluorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109192365
N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212249

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide (CID 91628554) is N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide is COc1cc(C(=O)NCCc2ccc(F)cc2)ncn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide?
The InChIKey is VMZZQLZBSULDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-20-13-8-12(17-9-18-13)14(19)16-7-6-10-2-4-11(15)5-3-10/h2-5,8-9H,6-7H2,1H3,(H,16,19).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 91628554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).