4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide

C17H21N5O4 — CID 91773651

IUPAC4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide
SMILESCOc1cc(N[C@@H]2COCC[C@H]2Oc2ccc(C(N)=O)cc2)nc(N)n1
InChIInChI=1S/C17H21N5O4/c1-24-15-8-14(21-17(19)22-15)20-12-9-25-7-6-13(12)26-11-4-2-10(3-5-11)16(18)23/h2-5,8,12-13H,6-7,9H2,1H3,(H2,18,23)(H3,19,20,21,22)/t12-,13-/m1/s1
InChIKeyNSTSBXWRTRNOMI-CHWSQXEVSA-N
MW359.39 g/mol
LogP0.81
Rot. Bonds6

About 4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide

4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide (PubChem CID 91773651) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide.

Molecular Properties

Compound Name4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide
PubChem CID91773651
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide
SMILESCOc1cc(N[C@@H]2COCC[C@H]2Oc2ccc(C(N)=O)cc2)nc(N)n1
InChIInChI=1S/C17H21N5O4/c1-24-15-8-14(21-17(19)22-15)20-12-9-25-7-6-13(12)26-11-4-2-10(3-5-11)16(18)23/h2-5,8,12-13H,6-7,9H2,1H3,(H2,18,23)(H3,19,20,21,22)/t12-,13-/m1/s1
InChIKeyNSTSBXWRTRNOMI-CHWSQXEVSA-N
XLogP0.81
TPSA134.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide with MolForge

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Related Compounds

4-[3-[[2-(dimethylamino)acetyl]amino]oxan-4-yl]oxybenzamide
CID 156608507
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide
CID 91770875
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]pyridazine-4-carboxamide
CID 91788390
4-[(3S,4R)-4-[(2-acetamidoacetyl)amino]oxan-3-yl]oxybenzamide
CID 91780929
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 91763682
N'-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-N-methylbutanediamide
CID 91780513
4-[(3S,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)oxan-3-yl]oxybenzamide
CID 91770642
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 91789429
4-[(3S,4R)-4-(3-methylsulfanylpropanoylamino)oxan-3-yl]oxybenzamide
CID 91797995
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-1-ethylpyrazole-4-carboxamide
CID 91786321
4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid
CID 91765912
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]morpholine-4-carboxamide
CID 91785022

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide?
The IUPAC name of 4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide (CID 91773651) is 4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide.
What is the SMILES notation for 4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide?
The canonical SMILES for 4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide is COc1cc(N[C@@H]2COCC[C@H]2Oc2ccc(C(N)=O)cc2)nc(N)n1.
What is the InChIKey of 4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide?
The InChIKey is NSTSBXWRTRNOMI-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-24-15-8-14(21-17(19)22-15)20-12-9-25-7-6-13(12)26-11-4-2-10(3-5-11)16(18)23/h2-5,8,12-13H,6-7,9H2,1H3,(H2,18,23)(H3,19,20,21,22)/t12-,13-/m1/s1.
What are the key properties of 4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide?
4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide has a molecular weight of 359.39 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4R)-3-[(2-amino-6-methoxypyrimidin-4-yl)amino]oxan-4-yl]oxybenzamide is sourced from PubChem (CID 91773651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).