2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide

C12H18N4O4 — CID 128787231

IUPAC2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide
SMILESCOc1nccc(NC(=O)N2CCOC(C(C)O)C2)n1
InChIInChI=1S/C12H18N4O4/c1-8(17)9-7-16(5-6-20-9)12(18)15-10-3-4-13-11(14-10)19-2/h3-4,8-9,17H,5-7H2,1-2H3,(H,13,14,15,18)
InChIKeyYYHOFYYTMQIDGR-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.10
Rot. Bonds3

About 2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide

2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide (PubChem CID 128787231) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide
PubChem CID128787231
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide
SMILESCOc1nccc(NC(=O)N2CCOC(C(C)O)C2)n1
InChIInChI=1S/C12H18N4O4/c1-8(17)9-7-16(5-6-20-9)12(18)15-10-3-4-13-11(14-10)19-2/h3-4,8-9,17H,5-7H2,1-2H3,(H,13,14,15,18)
InChIKeyYYHOFYYTMQIDGR-UHFFFAOYSA-N
XLogP0.10
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-(Pyrimidin-2-yl)morpholin-2-yl)methanol
CID 54423499
N~4~-ethyl-N~2~-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
CID 50969566
1-(2-Hydroxypropyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 53504637
1-[(2-Aminopyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)propan-2-ol
CID 459825
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}pyrimidin-4-amine
CID 72884079
N-[[(2S)-4-(2-tert-butylpyrimidin-4-yl)morpholin-2-yl]methyl]acetamide
CID 97787169
(2S)-2-methyl-N-pyrimidin-4-yl-1,4-oxazepane-4-carboxamide
CID 99840604
N-[rac-(3S,4R)-4-ethoxytetrahydrofuran-3-yl]-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide
CID 124206158
1-[4-[6-(Cyclopropylamino)pyrimidin-4-yl]morpholin-2-yl]ethanol
CID 128733275
1-[(2R, 6R)-3,5-dihydroxy-6-hydroxymethyl-4-(2-pyrimidinyl)morpholin-2-yl]-5-fluorocytosine
CID 53697575
2-[1-(4-Aminopyrimidin-2-yl)-3,3-difluoropiperidin-4-yl]oxyethanol
CID 156538102
1-[1-(4-Aminopyrimidin-2-yl)-3-fluoropiperidin-4-yl]oxypropan-2-ol
CID 156538120

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide?
The IUPAC name of 2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide (CID 128787231) is 2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide?
The canonical SMILES for 2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide is COc1nccc(NC(=O)N2CCOC(C(C)O)C2)n1.
What is the InChIKey of 2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide?
The InChIKey is YYHOFYYTMQIDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-8(17)9-7-16(5-6-20-9)12(18)15-10-3-4-13-11(14-10)19-2/h3-4,8-9,17H,5-7H2,1-2H3,(H,13,14,15,18).
What are the key properties of 2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide?
2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-N-(2-methoxypyrimidin-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 128787231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).