2,4-diamino-5-ethyl-1H-pyrimidin-6-one

C6H10N4O — CID 135449394

IUPAC2,4-diamino-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C6H10N4O/c1-2-3-4(7)9-6(8)10-5(3)11/h2H2,1H3,(H5,7,8,9,10,11)
InChIKeyLQFQKQQSSBLHHA-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.50
Rot. Bonds1

About 2,4-diamino-5-ethyl-1H-pyrimidin-6-one

2,4-diamino-5-ethyl-1H-pyrimidin-6-one (PubChem CID 135449394) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2,4-diamino-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-ethyl-1H-pyrimidin-6-one
PubChem CID135449394
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name2,4-diamino-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C6H10N4O/c1-2-3-4(7)9-6(8)10-5(3)11/h2H2,1H3,(H5,7,8,9,10,11)
InChIKeyLQFQKQQSSBLHHA-UHFFFAOYSA-N
XLogP-0.50
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-ethyl-1H-pyrimidin-6-one (CID 135449394) is 2,4-diamino-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-ethyl-1H-pyrimidin-6-one is CCc1c(N)nc(N)[nH]c1=O.
What is the InChIKey of 2,4-diamino-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is LQFQKQQSSBLHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-3-4(7)9-6(8)10-5(3)11/h2H2,1H3,(H5,7,8,9,10,11).
What are the key properties of 2,4-diamino-5-ethyl-1H-pyrimidin-6-one?
2,4-diamino-5-ethyl-1H-pyrimidin-6-one has a molecular weight of 154.17 g/mol, XLogP of -0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135449394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).