4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one

C16H18FN5O — CID 39782115

IUPAC4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one
SMILESCc1cc(N2CCN(Cc3ccccc3F)C(=O)C2)nc(N)n1
InChIInChI=1S/C16H18FN5O/c1-11-8-14(20-16(18)19-11)21-6-7-22(15(23)10-21)9-12-4-2-3-5-13(12)17/h2-5,8H,6-7,9-10H2,1H3,(H2,18,19,20)
InChIKeyQZRLDKBZUJRPAQ-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.36
Rot. Bonds3

About 4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one

4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one (PubChem CID 39782115) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one
PubChem CID39782115
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one
SMILESCc1cc(N2CCN(Cc3ccccc3F)C(=O)C2)nc(N)n1
InChIInChI=1S/C16H18FN5O/c1-11-8-14(20-16(18)19-11)21-6-7-22(15(23)10-21)9-12-4-2-3-5-13(12)17/h2-5,8H,6-7,9-10H2,1H3,(H2,18,19,20)
InChIKeyQZRLDKBZUJRPAQ-UHFFFAOYSA-N
XLogP1.36
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one (CID 39782115) is 4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one is Cc1cc(N2CCN(Cc3ccccc3F)C(=O)C2)nc(N)n1.
What is the InChIKey of 4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is QZRLDKBZUJRPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-11-8-14(20-16(18)19-11)21-6-7-22(15(23)10-21)9-12-4-2-3-5-13(12)17/h2-5,8H,6-7,9-10H2,1H3,(H2,18,19,20).
What are the key properties of 4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one?
4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 315.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-methylpyrimidin-4-yl)-1-[(2-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 39782115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).