2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one

C8H13N5O2 — CID 135850748

IUPAC2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one
SMILESNc1nc(N2CCOCC2)c(N)c(=O)[nH]1
InChIInChI=1S/C8H13N5O2/c9-5-6(11-8(10)12-7(5)14)13-1-3-15-4-2-13/h1-4,9H2,(H3,10,11,12,14)
InChIKeyUYTIQOZTVHLAQJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.23
Rot. Bonds1

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

2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 135850748) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID135850748
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one
SMILESNc1nc(N2CCOCC2)c(N)c(=O)[nH]1
InChIInChI=1S/C8H13N5O2/c9-5-6(11-8(10)12-7(5)14)13-1-3-15-4-2-13/h1-4,9H2,(H3,10,11,12,14)
InChIKeyUYTIQOZTVHLAQJ-UHFFFAOYSA-N
XLogP-1.23
TPSA110.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one (CID 135850748) is 2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one is Nc1nc(N2CCOCC2)c(N)c(=O)[nH]1.
What is the InChIKey of 2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is UYTIQOZTVHLAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-5-6(11-8(10)12-7(5)14)13-1-3-15-4-2-13/h1-4,9H2,(H3,10,11,12,14).
What are the key properties of 2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one?
2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 211.22 g/mol, XLogP of -1.23, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135850748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).