2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one

C13H22N4O2 — CID 160654602

IUPAC2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one
SMILESCCCn1c(NCC)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C13H22N4O2/c1-3-5-17-12(18)10-11(15-13(17)14-4-2)16-6-8-19-9-7-16/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyRKWNTOQSFKUFIS-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.92
Rot. Bonds5

About 2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one

2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one (PubChem CID 160654602) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one.

Molecular Properties

Compound Name2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one
PubChem CID160654602
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one
SMILESCCCn1c(NCC)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C13H22N4O2/c1-3-5-17-12(18)10-11(15-13(17)14-4-2)16-6-8-19-9-7-16/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyRKWNTOQSFKUFIS-UHFFFAOYSA-N
XLogP0.92
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one?
The IUPAC name of 2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one (CID 160654602) is 2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one.
What is the SMILES notation for 2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one?
The canonical SMILES for 2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one is CCCn1c(NCC)nc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one?
The InChIKey is RKWNTOQSFKUFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-5-17-12(18)10-11(15-13(17)14-4-2)16-6-8-19-9-7-16/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one?
2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one has a molecular weight of 266.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-morpholin-4-yl-3-propylpyrimidin-4-one is sourced from PubChem (CID 160654602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).