ethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H30N6O3 — CID 176998936

IUPACethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC.CNCC(=O)NC1C[C@@H](O)CO[C@H]1C.Nc1ncnc2[nH]ccc12
InChIInChI=1S/C9H18N2O3.C6H6N4.C2H6/c1-6-8(3-7(12)5-14-6)11-9(13)4-10-2;7-5-4-1-2-8-6(4)10-3-9-5;1-2/h6-8,10,12H,3-5H2,1-2H3,(H,11,13);1-3H,(H3,7,8,9,10);1-2H3/t6-,7+,8?;;/m0../s1
InChIKeyHPHWCMABIZYIMW-LPZMHZDZSA-N
MW366.47 g/mol
LogP0.43
Rot. Bonds3

About ethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine

ethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 176998936) has the molecular formula C17H30N6O3 and a molecular weight of 366.47 g/mol. Its IUPAC name is ethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID176998936
Molecular FormulaC17H30N6O3
Molecular Weight366.47 g/mol
Exact Mass366.24
IUPAC Nameethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC.CNCC(=O)NC1C[C@@H](O)CO[C@H]1C.Nc1ncnc2[nH]ccc12
InChIInChI=1S/C9H18N2O3.C6H6N4.C2H6/c1-6-8(3-7(12)5-14-6)11-9(13)4-10-2;7-5-4-1-2-8-6(4)10-3-9-5;1-2/h6-8,10,12H,3-5H2,1-2H3,(H,11,13);1-3H,(H3,7,8,9,10);1-2H3/t6-,7+,8?;;/m0../s1
InChIKeyHPHWCMABIZYIMW-LPZMHZDZSA-N
XLogP0.43
TPSA138.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 50.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze ethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-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

1-methyl-3-(oxan-4-yl)-1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]urea
CID 56948739
Tofacitinib metabolite M2
CID 49856321
Pfe-pkis 34
CID 22282869
US9617258, Example 7
CID 118115655
US9617258, Example 19
CID 118116011
(1R,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 164513283
1-[(4aR,8aS)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]prop-2-en-1-one
CID 118115823
US9617258, Example 52
CID 118115212
US9617258, Example 113
CID 118115497
US9617258, Example 17
CID 118115675
US9617258, Example 60
CID 118115703
US9617258, Example 78
CID 118115774

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of ethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 176998936) is ethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for ethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for ethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC.CNCC(=O)NC1C[C@@H](O)CO[C@H]1C.Nc1ncnc2[nH]ccc12.
What is the InChIKey of ethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HPHWCMABIZYIMW-LPZMHZDZSA-N. The full InChI is InChI=1S/C9H18N2O3.C6H6N4.C2H6/c1-6-8(3-7(12)5-14-6)11-9(13)4-10-2;7-5-4-1-2-8-6(4)10-3-9-5;1-2/h6-8,10,12H,3-5H2,1-2H3,(H,11,13);1-3H,(H3,7,8,9,10);1-2H3/t6-,7+,8?;;/m0../s1.
What are the key properties of ethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine?
ethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 366.47 g/mol, XLogP of 0.43, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2S,5R)-5-hydroxy-2-methyloxan-3-yl]-2-(methylamino)acetamide;7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 176998936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).