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

C8H13N5O2 — CID 135850746

IUPAC4,5-diamino-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESNc1nc(N2CCOCC2)[nH]c(=O)c1N
InChIInChI=1S/C8H13N5O2/c9-5-6(10)11-8(12-7(5)14)13-1-3-15-4-2-13/h1-4,9H2,(H3,10,11,12,14)
InChIKeyNOLJXMCFKMQSHH-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.23
Rot. Bonds1

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

4,5-diamino-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 135850746) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4,5-diamino-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-diamino-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID135850746
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name4,5-diamino-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESNc1nc(N2CCOCC2)[nH]c(=O)c1N
InChIInChI=1S/C8H13N5O2/c9-5-6(10)11-8(12-7(5)14)13-1-3-15-4-2-13/h1-4,9H2,(H3,10,11,12,14)
InChIKeyNOLJXMCFKMQSHH-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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Related Compounds

6-Methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-ol
CID 135491613
2-amino-6-morpholin-4-ylpyrimidin-4(3H)-one
CID 135512317
6-Amino-3-methyl-2-(morpholin-4-yl)-5-nitrosopyrimidin-4(3h)-one
CID 91132632
6-Amino-2-(morpholin-4-yl)pyrimidin-4(1H)-one
CID 135587491
6-amino-5-bromo-2-(morpholin-4-yl)pyrimidin-4(3H)-one
CID 135629493
6-Amino-2-morpholin-4-yl-5-nitrosopyrimidin-4-ol
CID 136185846
5,6-Diamino-3-methyl-2-morpholin-4-ylpyrimidin-4-one
CID 139217219
5-fluoro-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136228904
2-amino-5-morpholin-4-yl-1H-pyrimidin-6-one
CID 18432587
5-amino-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 20276700
2,5-diamino-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135850748
2-Amino-9-(2-ethoxyethyl)-1,8-dihydropurin-8-id-6-one;ethane;yttrium
CID 135991965

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4,5-diamino-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 135850746) is 4,5-diamino-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-diamino-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-diamino-2-morpholin-4-yl-1H-pyrimidin-6-one is Nc1nc(N2CCOCC2)[nH]c(=O)c1N.
What is the InChIKey of 4,5-diamino-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is NOLJXMCFKMQSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-5-6(10)11-8(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 4,5-diamino-2-morpholin-4-yl-1H-pyrimidin-6-one?
4,5-diamino-2-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 4,5-diamino-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135850746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).