5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride

C10H19ClN4O — CID 138585701

IUPAC5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride
SMILESCCN(CC)CCn1cncc(N)c1=O.Cl
InChIInChI=1S/C10H18N4O.ClH/c1-3-13(4-2)5-6-14-8-12-7-9(11)10(14)15;/h7-8H,3-6,11H2,1-2H3;1H
InChIKeyLMPRENBBFFXOSX-UHFFFAOYSA-N
MW246.74 g/mol
LogP0.59
Rot. Bonds5

About 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride

5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride (PubChem CID 138585701) has the molecular formula C10H19ClN4O and a molecular weight of 246.74 g/mol. Its IUPAC name is 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride
PubChem CID138585701
Molecular FormulaC10H19ClN4O
Molecular Weight246.74 g/mol
Exact Mass246.12
IUPAC Name5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride
SMILESCCN(CC)CCn1cncc(N)c1=O.Cl
InChIInChI=1S/C10H18N4O.ClH/c1-3-13(4-2)5-6-14-8-12-7-9(11)10(14)15;/h7-8H,3-6,11H2,1-2H3;1H
InChIKeyLMPRENBBFFXOSX-UHFFFAOYSA-N
XLogP0.59
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride?
The IUPAC name of 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride (CID 138585701) is 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride is CCN(CC)CCn1cncc(N)c1=O.Cl.
What is the InChIKey of 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride?
The InChIKey is LMPRENBBFFXOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.ClH/c1-3-13(4-2)5-6-14-8-12-7-9(11)10(14)15;/h7-8H,3-6,11H2,1-2H3;1H.
What are the key properties of 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride?
5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-(diethylamino)ethyl]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 138585701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).