6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide

C18H22FN5O — CID 109345258

IUPAC6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)NCc3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C18H22FN5O/c1-2-23-7-9-24(10-8-23)17-11-16(21-13-22-17)18(25)20-12-14-3-5-15(19)6-4-14/h3-6,11,13H,2,7-10,12H2,1H3,(H,20,25)
InChIKeySHQFLZNVOMVVPA-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.69
Rot. Bonds5

About 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide

6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109345258) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109345258
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)NCc3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C18H22FN5O/c1-2-23-7-9-24(10-8-23)17-11-16(21-13-22-17)18(25)20-12-14-3-5-15(19)6-4-14/h3-6,11,13H,2,7-10,12H2,1H3,(H,20,25)
InChIKeySHQFLZNVOMVVPA-UHFFFAOYSA-N
XLogP1.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109116479
6-(4-ethylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109345270
6-(4-ethylpiperazin-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109367168
5-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109278578
N-cyclopropyl-6-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109339234
2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 46345614
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342162
6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109096789
2-(4-ethylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109168727
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348421
6-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345863
6-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109116492

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (CID 109345258) is 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is CCN1CCN(c2cc(C(=O)NCc3ccc(F)cc3)ncn2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is SHQFLZNVOMVVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-2-23-7-9-24(10-8-23)17-11-16(21-13-22-17)18(25)20-12-14-3-5-15(19)6-4-14/h3-6,11,13H,2,7-10,12H2,1H3,(H,20,25).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109345258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).