5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one

C11H19N5O2 — CID 135568309

IUPAC5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCCN2CCOCC2)nc[nH]c1=O
InChIInChI=1S/C11H19N5O2/c12-9-10(14-8-15-11(9)17)13-2-1-3-16-4-6-18-7-5-16/h8H,1-7,12H2,(H2,13,14,15,17)
InChIKeyOBGBRPHWXUZWBB-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.51
Rot. Bonds5

About 5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one

5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one (PubChem CID 135568309) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
PubChem CID135568309
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCCN2CCOCC2)nc[nH]c1=O
InChIInChI=1S/C11H19N5O2/c12-9-10(14-8-15-11(9)17)13-2-1-3-16-4-6-18-7-5-16/h8H,1-7,12H2,(H2,13,14,15,17)
InChIKeyOBGBRPHWXUZWBB-UHFFFAOYSA-N
XLogP-0.51
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one (CID 135568309) is 5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one is Nc1c(NCCCN2CCOCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is OBGBRPHWXUZWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c12-9-10(14-8-15-11(9)17)13-2-1-3-16-4-6-18-7-5-16/h8H,1-7,12H2,(H2,13,14,15,17).
What are the key properties of 5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one?
5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 253.31 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135568309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).