4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one

C12H14N6O2 — CID 144988717

IUPAC4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESNc1ncc(-c2cc(=O)[nH]c(N3CCOCC3)n2)cn1
InChIInChI=1S/C12H14N6O2/c13-11-14-6-8(7-15-11)9-5-10(19)17-12(16-9)18-1-3-20-4-2-18/h5-7H,1-4H2,(H2,13,14,15)(H,16,17,19)
InChIKeyIRKBEOIILOSAJO-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.35
Rot. Bonds2

About 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one

4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 144988717) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID144988717
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESNc1ncc(-c2cc(=O)[nH]c(N3CCOCC3)n2)cn1
InChIInChI=1S/C12H14N6O2/c13-11-14-6-8(7-15-11)9-5-10(19)17-12(16-9)18-1-3-20-4-2-18/h5-7H,1-4H2,(H2,13,14,15)(H,16,17,19)
InChIKeyIRKBEOIILOSAJO-UHFFFAOYSA-N
XLogP-0.35
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 144988717) is 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one is Nc1ncc(-c2cc(=O)[nH]c(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is IRKBEOIILOSAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c13-11-14-6-8(7-15-11)9-5-10(19)17-12(16-9)18-1-3-20-4-2-18/h5-7H,1-4H2,(H2,13,14,15)(H,16,17,19).
What are the key properties of 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one?
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 274.28 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 144988717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).