morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone

C14H20N4O3 — CID 109343521

IUPACmorpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
SMILESO=C(c1cc(NCC2CCCO2)ncn1)N1CCOCC1
InChIInChI=1S/C14H20N4O3/c19-14(18-3-6-20-7-4-18)12-8-13(17-10-16-12)15-9-11-2-1-5-21-11/h8,10-11H,1-7,9H2,(H,15,16,17)
InChIKeyAKXGVJUKQLZIQB-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.54
Rot. Bonds4

About morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone

morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone (PubChem CID 109343521) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
PubChem CID109343521
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Namemorpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone
SMILESO=C(c1cc(NCC2CCCO2)ncn1)N1CCOCC1
InChIInChI=1S/C14H20N4O3/c19-14(18-3-6-20-7-4-18)12-8-13(17-10-16-12)15-9-11-2-1-5-21-11/h8,10-11H,1-7,9H2,(H,15,16,17)
InChIKeyAKXGVJUKQLZIQB-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

[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341627
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032
6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339622
N-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343802
morpholin-4-yl-[2-[[(2R)-oxolan-2-yl]methylamino]quinolin-4-yl]methanone
CID 94476970
N-[[(2S)-oxolan-2-yl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 138033732
(4-methylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276926
N-(2,4-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343781
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343536
(4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109342324
[2-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109365724

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone (CID 109343521) is morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone is O=C(c1cc(NCC2CCCO2)ncn1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone?
The InChIKey is AKXGVJUKQLZIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-14(18-3-6-20-7-4-18)12-8-13(17-10-16-12)15-9-11-2-1-5-21-11/h8,10-11H,1-7,9H2,(H,15,16,17).
What are the key properties of morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone?
morpholin-4-yl-[6-(oxolan-2-ylmethylamino)pyrimidin-4-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-[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109343521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).