(2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate

C12H17N3O4 — CID 141018164

IUPAC(2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate
SMILESO=C(OCC(O)CN1CCOCC1)c1cncnc1
InChIInChI=1S/C12H17N3O4/c16-11(7-15-1-3-18-4-2-15)8-19-12(17)10-5-13-9-14-6-10/h5-6,9,11,16H,1-4,7-8H2
InChIKeyOQQOWHXHDRMKNX-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.67
Rot. Bonds5

About (2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate

(2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate (PubChem CID 141018164) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate.

Molecular Properties

Compound Name(2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate
PubChem CID141018164
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate
SMILESO=C(OCC(O)CN1CCOCC1)c1cncnc1
InChIInChI=1S/C12H17N3O4/c16-11(7-15-1-3-18-4-2-15)8-19-12(17)10-5-13-9-14-6-10/h5-6,9,11,16H,1-4,7-8H2
InChIKeyOQQOWHXHDRMKNX-UHFFFAOYSA-N
XLogP-0.67
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate
CID 17393188
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353
N-[4-amino-6-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]-5-methoxy-2-methyl-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide
CID 162346629
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024
2-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]acetamide
CID 7100169
(3R)-3-hydroxy-4-morpholin-4-ylbutanamide
CID 69066222
2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
CID 50944397
3-hydroxy-4-morpholin-4-ylbutanoic acid
CID 79006775
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
(E)-3-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one
CID 10384403
4-(pyrimidin-5-ylmethyl)morpholine
CID 130750424

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate?
The IUPAC name of (2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate (CID 141018164) is (2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate.
What is the SMILES notation for (2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate?
The canonical SMILES for (2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate is O=C(OCC(O)CN1CCOCC1)c1cncnc1.
What is the InChIKey of (2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate?
The InChIKey is OQQOWHXHDRMKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-11(7-15-1-3-18-4-2-15)8-19-12(17)10-5-13-9-14-6-10/h5-6,9,11,16H,1-4,7-8H2.
What are the key properties of (2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate?
(2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate has a molecular weight of 267.28 g/mol, XLogP of -0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-morpholin-4-ylpropyl) pyrimidine-5-carboxylate is sourced from PubChem (CID 141018164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).