2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C16H19FN6O2 — CID 136663642

IUPAC2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESNc1nc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C16H19FN6O2/c17-11-1-3-12(4-2-11)19-15(25)10-22-5-7-23(8-6-22)13-9-14(24)21-16(18)20-13/h1-4,9H,5-8,10H2,(H,19,25)(H3,18,20,21,24)
InChIKeyCDEHPTCLMAHQPQ-UHFFFAOYSA-N
MW346.37 g/mol
LogP0.25
Rot. Bonds4

About 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 136663642) has the molecular formula C16H19FN6O2 and a molecular weight of 346.37 g/mol. Its IUPAC name is 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID136663642
Molecular FormulaC16H19FN6O2
Molecular Weight346.37 g/mol
Exact Mass346.16
IUPAC Name2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESNc1nc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc(=O)[nH]1
InChIInChI=1S/C16H19FN6O2/c17-11-1-3-12(4-2-11)19-15(25)10-22-5-7-23(8-6-22)13-9-14(24)21-16(18)20-13/h1-4,9H,5-8,10H2,(H,19,25)(H3,18,20,21,24)
InChIKeyCDEHPTCLMAHQPQ-UHFFFAOYSA-N
XLogP0.25
TPSA107.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 137048553
2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 169409049
2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 137122893
2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136948059
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4081738
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 8719101
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 137048510
N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 17448855
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
CID 135933881

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 136663642) is 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is Nc1nc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is CDEHPTCLMAHQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O2/c17-11-1-3-12(4-2-11)19-15(25)10-22-5-7-23(8-6-22)13-9-14(24)21-16(18)20-13/h1-4,9H,5-8,10H2,(H,19,25)(H3,18,20,21,24).
What are the key properties of 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 346.37 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 136663642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).