5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one

C10H17N5O — CID 135786494

IUPAC5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCN1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C10H17N5O/c1-2-14-3-5-15(6-4-14)9-8(11)10(16)13-7-12-9/h7H,2-6,11H2,1H3,(H,12,13,16)
InChIKeyDUPSDEFMDDKWMB-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.51
Rot. Bonds2

About 5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135786494) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135786494
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCCN1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C10H17N5O/c1-2-14-3-5-15(6-4-14)9-8(11)10(16)13-7-12-9/h7H,2-6,11H2,1H3,(H,12,13,16)
InChIKeyDUPSDEFMDDKWMB-UHFFFAOYSA-N
XLogP-0.51
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135786494) is 5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one is CCN1CCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is DUPSDEFMDDKWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-2-14-3-5-15(6-4-14)9-8(11)10(16)13-7-12-9/h7H,2-6,11H2,1H3,(H,12,13,16).
What are the key properties of 5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135786494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).