2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine

C22H27N5O2 — CID 129473602

IUPAC2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCC(C)c1noc([C@H](Nc2ccnc(Cc3ccccc3)n2)C2CCOCC2)n1
InChIInChI=1S/C22H27N5O2/c1-15(2)21-26-22(29-27-21)20(17-9-12-28-13-10-17)25-18-8-11-23-19(24-18)14-16-6-4-3-5-7-16/h3-8,11,15,17,20H,9-10,12-14H2,1-2H3,(H,23,24,25)/t20-/m1/s1
InChIKeyVSTJIJXYOAEVTP-HXUWFJFHSA-N
MW393.49 g/mol
LogP4.15
Rot. Bonds7

About 2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine

2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 129473602) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID129473602
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCC(C)c1noc([C@H](Nc2ccnc(Cc3ccccc3)n2)C2CCOCC2)n1
InChIInChI=1S/C22H27N5O2/c1-15(2)21-26-22(29-27-21)20(17-9-12-28-13-10-17)25-18-8-11-23-19(24-18)14-16-6-4-3-5-7-16/h3-8,11,15,17,20H,9-10,12-14H2,1-2H3,(H,23,24,25)/t20-/m1/s1
InChIKeyVSTJIJXYOAEVTP-HXUWFJFHSA-N
XLogP4.15
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine
CID 99718666
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
CID 128993450
2-cyclopropyl-6-methyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 128965636
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 129329023
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 129338337
3-cyclopropyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 128965578
(2S)-2-[[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-2-phenylacetamide
CID 129472264
5-bromo-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 129472627
(2S)-1-(2-methoxyphenyl)-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 129341816
1-(2-methoxyphenyl)-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 128966955
6,7-difluoro-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine
CID 129327295
6,7-difluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine
CID 129327296

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (CID 129473602) is 2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is CC(C)c1noc([C@H](Nc2ccnc(Cc3ccccc3)n2)C2CCOCC2)n1.
What is the InChIKey of 2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is VSTJIJXYOAEVTP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15(2)21-26-22(29-27-21)20(17-9-12-28-13-10-17)25-18-8-11-23-19(24-18)14-16-6-4-3-5-7-16/h3-8,11,15,17,20H,9-10,12-14H2,1-2H3,(H,23,24,25)/t20-/m1/s1.
What are the key properties of 2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 393.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 129473602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).