6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine

C16H23N5O2 — CID 128973858

IUPAC6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NC[C@H]2CC[C@@H](c3nc(C)no3)O2)nc(C(C)C)n1
InChIInChI=1S/C16H23N5O2/c1-9(2)15-18-10(3)7-14(20-15)17-8-12-5-6-13(22-12)16-19-11(4)21-23-16/h7,9,12-13H,5-6,8H2,1-4H3,(H,17,18,20)/t12-,13+/m1/s1
InChIKeyHGKKRXDVSAHXGV-OLZOCXBDSA-N
MW317.39 g/mol
LogP2.93
Rot. Bonds5

About 6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine

6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 128973858) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID128973858
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NC[C@H]2CC[C@@H](c3nc(C)no3)O2)nc(C(C)C)n1
InChIInChI=1S/C16H23N5O2/c1-9(2)15-18-10(3)7-14(20-15)17-8-12-5-6-13(22-12)16-19-11(4)21-23-16/h7,9,12-13H,5-6,8H2,1-4H3,(H,17,18,20)/t12-,13+/m1/s1
InChIKeyHGKKRXDVSAHXGV-OLZOCXBDSA-N
XLogP2.93
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methoxymethyl)-6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrimidin-4-amine
CID 128973864
6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395188
5-chloro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]pyrimidin-2-amine
CID 129004564
6-methyl-2-[[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methylamino]methyl]pyridin-3-ol
CID 128994012
6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 129004575
N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 129004563
8-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]quinazolin-4-amine
CID 128968332
(2S)-1,1,1-trifluoro-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]propane-2-sulfonamide
CID 129327937
6-methyl-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 107419098
6-methyl-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79362563
N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 122156200
(3S)-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]thiolan-3-amine
CID 129330675

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine (CID 128973858) is 6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NC[C@H]2CC[C@@H](c3nc(C)no3)O2)nc(C(C)C)n1.
What is the InChIKey of 6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is HGKKRXDVSAHXGV-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-9(2)15-18-10(3)7-14(20-15)17-8-12-5-6-13(22-12)16-19-11(4)21-23-16/h7,9,12-13H,5-6,8H2,1-4H3,(H,17,18,20)/t12-,13+/m1/s1.
What are the key properties of 6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine?
6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 317.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[(2R,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 128973858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).