morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone

C14H20N4O3 — CID 109252032

IUPACmorpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCC2CCCO2)nc1)N1CCOCC1
InChIInChI=1S/C14H20N4O3/c19-13(18-3-6-20-7-4-18)11-8-15-14(16-9-11)17-10-12-2-1-5-21-12/h8-9,12H,1-7,10H2,(H,15,16,17)
InChIKeyJAVXYLXNWMTWOP-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.54
Rot. Bonds4

About morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone

morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone (PubChem CID 109252032) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
PubChem CID109252032
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Namemorpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCC2CCCO2)nc1)N1CCOCC1
InChIInChI=1S/C14H20N4O3/c19-13(18-3-6-20-7-4-18)11-8-15-14(16-9-11)17-10-12-2-1-5-21-12/h8-9,12H,1-7,10H2,(H,15,16,17)
InChIKeyJAVXYLXNWMTWOP-UHFFFAOYSA-N
XLogP0.54
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109252552
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252548
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109343521
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252576
morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109252034
[5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 45251545
[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298407
N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252599
(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 72886454
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596
morpholin-4-yl-[2-[[(2R)-oxolan-2-yl]methylamino]quinolin-4-yl]methanone
CID 94476970

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone (CID 109252032) is morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone is O=C(c1cnc(NCC2CCCO2)nc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone?
The InChIKey is JAVXYLXNWMTWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-13(18-3-6-20-7-4-18)11-8-15-14(16-9-11)17-10-12-2-1-5-21-12/h8-9,12H,1-7,10H2,(H,15,16,17).
What are the key properties of morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone?
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone has a molecular weight of 292.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 109252032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).