4-amino-5-(diethylamino)-1H-pyrimidin-6-one

C8H14N4O — CID 171384005

IUPAC4-amino-5-(diethylamino)-1H-pyrimidin-6-one
SMILESCCN(CC)c1c(N)nc[nH]c1=O
InChIInChI=1S/C8H14N4O/c1-3-12(4-2)6-7(9)10-5-11-8(6)13/h5H,3-4H2,1-2H3,(H3,9,10,11,13)
InChIKeyVNTJOJOCCBYEAW-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.20
Rot. Bonds3

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

4-amino-5-(diethylamino)-1H-pyrimidin-6-one (PubChem CID 171384005) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-amino-5-(diethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-(diethylamino)-1H-pyrimidin-6-one
PubChem CID171384005
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-amino-5-(diethylamino)-1H-pyrimidin-6-one
SMILESCCN(CC)c1c(N)nc[nH]c1=O
InChIInChI=1S/C8H14N4O/c1-3-12(4-2)6-7(9)10-5-11-8(6)13/h5H,3-4H2,1-2H3,(H3,9,10,11,13)
InChIKeyVNTJOJOCCBYEAW-UHFFFAOYSA-N
XLogP0.20
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(diethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-(diethylamino)-1H-pyrimidin-6-one (CID 171384005) is 4-amino-5-(diethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-(diethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-(diethylamino)-1H-pyrimidin-6-one is CCN(CC)c1c(N)nc[nH]c1=O.
What is the InChIKey of 4-amino-5-(diethylamino)-1H-pyrimidin-6-one?
The InChIKey is VNTJOJOCCBYEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-12(4-2)6-7(9)10-5-11-8(6)13/h5H,3-4H2,1-2H3,(H3,9,10,11,13).
What are the key properties of 4-amino-5-(diethylamino)-1H-pyrimidin-6-one?
4-amino-5-(diethylamino)-1H-pyrimidin-6-one has a molecular weight of 182.23 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(diethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 171384005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).