2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one

C8H13N5O2 — CID 136776204

IUPAC2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NN2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C8H13N5O2/c9-8-10-6(5-7(14)11-8)12-13-1-3-15-4-2-13/h5H,1-4H2,(H4,9,10,11,12,14)
InChIKeyLNXRLFNOWWTLIJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.99
Rot. Bonds2

About 2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one

2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one (PubChem CID 136776204) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one
PubChem CID136776204
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NN2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C8H13N5O2/c9-8-10-6(5-7(14)11-8)12-13-1-3-15-4-2-13/h5H,1-4H2,(H4,9,10,11,12,14)
InChIKeyLNXRLFNOWWTLIJ-UHFFFAOYSA-N
XLogP-0.99
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one (CID 136776204) is 2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one is Nc1nc(NN2CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one?
The InChIKey is LNXRLFNOWWTLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-8-10-6(5-7(14)11-8)12-13-1-3-15-4-2-13/h5H,1-4H2,(H4,9,10,11,12,14).
What are the key properties of 2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one?
2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one has a molecular weight of 211.22 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(morpholin-4-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136776204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).