5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one

C10H17N5O2 — CID 135568290

IUPAC5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCN(CCO)CC2)nc[nH]c1=O
InChIInChI=1S/C10H17N5O2/c11-8-9(12-7-13-10(8)17)15-3-1-14(2-4-15)5-6-16/h7,16H,1-6,11H2,(H,12,13,17)
InChIKeyBTANYJLZSJHDSM-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.53
Rot. Bonds3

About 5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 135568290) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID135568290
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1c(N2CCN(CCO)CC2)nc[nH]c1=O
InChIInChI=1S/C10H17N5O2/c11-8-9(12-7-13-10(8)17)15-3-1-14(2-4-15)5-6-16/h7,16H,1-6,11H2,(H,12,13,17)
InChIKeyBTANYJLZSJHDSM-UHFFFAOYSA-N
XLogP-1.53
TPSA98.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 135568290) is 5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one is Nc1c(N2CCN(CCO)CC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is BTANYJLZSJHDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c11-8-9(12-7-13-10(8)17)15-3-1-14(2-4-15)5-6-16/h7,16H,1-6,11H2,(H,12,13,17).
What are the key properties of 5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 239.28 g/mol, XLogP of -1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135568290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).