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

C8H12N4O2 — CID 136976676

IUPAC4-(morpholin-4-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NN2CCOCC2)nc[nH]1
InChIInChI=1S/C8H12N4O2/c13-8-5-7(9-6-10-8)11-12-1-3-14-4-2-12/h5-6H,1-4H2,(H2,9,10,11,13)
InChIKeyIAZKSZZFUWIZGE-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.57
Rot. Bonds2

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

4-(morpholin-4-ylamino)-1H-pyrimidin-6-one (PubChem CID 136976676) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(morpholin-4-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(morpholin-4-ylamino)-1H-pyrimidin-6-one
PubChem CID136976676
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-(morpholin-4-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NN2CCOCC2)nc[nH]1
InChIInChI=1S/C8H12N4O2/c13-8-5-7(9-6-10-8)11-12-1-3-14-4-2-12/h5-6H,1-4H2,(H2,9,10,11,13)
InChIKeyIAZKSZZFUWIZGE-UHFFFAOYSA-N
XLogP-0.57
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(morpholin-4-ylamino)-1H-pyrimidin-6-one (CID 136976676) is 4-(morpholin-4-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(morpholin-4-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(morpholin-4-ylamino)-1H-pyrimidin-6-one is O=c1cc(NN2CCOCC2)nc[nH]1.
What is the InChIKey of 4-(morpholin-4-ylamino)-1H-pyrimidin-6-one?
The InChIKey is IAZKSZZFUWIZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-8-5-7(9-6-10-8)11-12-1-3-14-4-2-12/h5-6H,1-4H2,(H2,9,10,11,13).
What are the key properties of 4-(morpholin-4-ylamino)-1H-pyrimidin-6-one?
4-(morpholin-4-ylamino)-1H-pyrimidin-6-one has a molecular weight of 196.21 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).