[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone

C13H15N5O2 — CID 125017180

IUPAC[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
SMILESCc1cnc([C@H]2COCCN2C(=O)c2cncnc2)[nH]1
InChIInChI=1S/C13H15N5O2/c1-9-4-16-12(17-9)11-7-20-3-2-18(11)13(19)10-5-14-8-15-6-10/h4-6,8,11H,2-3,7H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyXFQAQLDMKFFAJN-LLVKDONJSA-N
MW273.30 g/mol
LogP0.72
Rot. Bonds2

About [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone

[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone (PubChem CID 125017180) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
PubChem CID125017180
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
SMILESCc1cnc([C@H]2COCCN2C(=O)c2cncnc2)[nH]1
InChIInChI=1S/C13H15N5O2/c1-9-4-16-12(17-9)11-7-20-3-2-18(11)13(19)10-5-14-8-15-6-10/h4-6,8,11H,2-3,7H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyXFQAQLDMKFFAJN-LLVKDONJSA-N
XLogP0.72
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone (CID 125017180) is [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone is Cc1cnc([C@H]2COCCN2C(=O)c2cncnc2)[nH]1.
What is the InChIKey of [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone?
The InChIKey is XFQAQLDMKFFAJN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9-4-16-12(17-9)11-7-20-3-2-18(11)13(19)10-5-14-8-15-6-10/h4-6,8,11H,2-3,7H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone?
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone has a molecular weight of 273.30 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 125017180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).