4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one

C14H17N5O — CID 135400065

IUPAC4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C14H17N5O/c15-12-10-13(20)17-14(16-12)19-8-6-18(7-9-19)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H3,15,16,17,20)
InChIKeyMFHXSBFTMINXEB-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.68
Rot. Bonds2

About 4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one

4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135400065) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135400065
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C14H17N5O/c15-12-10-13(20)17-14(16-12)19-8-6-18(7-9-19)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H3,15,16,17,20)
InChIKeyMFHXSBFTMINXEB-UHFFFAOYSA-N
XLogP0.68
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135400065) is 4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is MFHXSBFTMINXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c15-12-10-13(20)17-14(16-12)19-8-6-18(7-9-19)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H3,15,16,17,20).
What are the key properties of 4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 271.32 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135400065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).