N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

C20H26FN5O2 — CID 109366361

IUPACN-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCCN2CCOCC2)cc(C(=O)NCCc2ccc(F)cc2)n1
InChIInChI=1S/C20H26FN5O2/c1-15-24-18(20(27)23-7-6-16-2-4-17(21)5-3-16)14-19(25-15)22-8-9-26-10-12-28-13-11-26/h2-5,14H,6-13H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyWFNGBKOAASXYEL-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.64
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (PubChem CID 109366361) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
PubChem CID109366361
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCCN2CCOCC2)cc(C(=O)NCCc2ccc(F)cc2)n1
InChIInChI=1S/C20H26FN5O2/c1-15-24-18(20(27)23-7-6-16-2-4-17(21)5-3-16)14-19(25-15)22-8-9-26-10-12-28-13-11-26/h2-5,14H,6-13H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyWFNGBKOAASXYEL-UHFFFAOYSA-N
XLogP1.64
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109366468
2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109362132
N-[2-(cyclohexen-1-yl)ethyl]-6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109364552
N-[(4-fluorophenyl)methyl]-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325200
N-(4-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366426
5-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185666
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371999
N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253198
2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167930
N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344446
2-methyl-6-(2-morpholin-4-ylethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109366400

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (CID 109366361) is N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is Cc1nc(NCCN2CCOCC2)cc(C(=O)NCCc2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The InChIKey is WFNGBKOAASXYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-15-24-18(20(27)23-7-6-16-2-4-17(21)5-3-16)14-19(25-15)22-8-9-26-10-12-28-13-11-26/h2-5,14H,6-13H2,1H3,(H,23,27)(H,22,24,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109366361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).