1-morpholin-4-yl-2-pyrimidin-5-ylethanone

C10H13N3O2 — CID 154708589

IUPAC1-morpholin-4-yl-2-pyrimidin-5-ylethanone
SMILESO=C(Cc1cncnc1)N1CCOCC1
InChIInChI=1S/C10H13N3O2/c14-10(13-1-3-15-4-2-13)5-9-6-11-8-12-7-9/h6-8H,1-5H2
InChIKeyHRIGLDDFRPWIIF-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.12
Rot. Bonds2

About 1-morpholin-4-yl-2-pyrimidin-5-ylethanone

1-morpholin-4-yl-2-pyrimidin-5-ylethanone (PubChem CID 154708589) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-pyrimidin-5-ylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-pyrimidin-5-ylethanone
PubChem CID154708589
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-morpholin-4-yl-2-pyrimidin-5-ylethanone
SMILESO=C(Cc1cncnc1)N1CCOCC1
InChIInChI=1S/C10H13N3O2/c14-10(13-1-3-15-4-2-13)5-9-6-11-8-12-7-9/h6-8H,1-5H2
InChIKeyHRIGLDDFRPWIIF-UHFFFAOYSA-N
XLogP-0.12
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-pyrimidin-5-ylethanone?
The IUPAC name of 1-morpholin-4-yl-2-pyrimidin-5-ylethanone (CID 154708589) is 1-morpholin-4-yl-2-pyrimidin-5-ylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-pyrimidin-5-ylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-pyrimidin-5-ylethanone is O=C(Cc1cncnc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-pyrimidin-5-ylethanone?
The InChIKey is HRIGLDDFRPWIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(13-1-3-15-4-2-13)5-9-6-11-8-12-7-9/h6-8H,1-5H2.
What are the key properties of 1-morpholin-4-yl-2-pyrimidin-5-ylethanone?
1-morpholin-4-yl-2-pyrimidin-5-ylethanone has a molecular weight of 207.23 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-pyrimidin-5-ylethanone is sourced from PubChem (CID 154708589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).