ethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine

C64H115N11O2 — CID 163542644

IUPACethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC(C)N1CCN(C)CC1=O.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnc1.Cc1cc(C(C)C)no1
InChIInChI=1S/C8H16N2O.2C8H11N.3C7H10N2.C7H11NO.6C2H6/c1-7(2)10-5-4-9(3)6-8(10)11;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-5(2)7-4-6(3)9-8-7;6*1-2/h7H,4-6H2,1-3H3;2*3-7H,1-2H3;3*3-6H,1-2H3;4-5H,1-3H3;6*1-2H3
InChIKeyFCKFCCIOBVUBOM-UHFFFAOYSA-N
MW1070.70 g/mol
LogP17.64
Rot. Bonds7

About ethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine

ethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine (PubChem CID 163542644) has the molecular formula C64H115N11O2 and a molecular weight of 1070.70 g/mol. Its IUPAC name is ethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.

Molecular Properties

Compound Nameethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
PubChem CID163542644
Molecular FormulaC64H115N11O2
Molecular Weight1070.70 g/mol
Exact Mass1069.92
IUPAC Nameethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC(C)N1CCN(C)CC1=O.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnc1.Cc1cc(C(C)C)no1
InChIInChI=1S/C8H16N2O.2C8H11N.3C7H10N2.C7H11NO.6C2H6/c1-7(2)10-5-4-9(3)6-8(10)11;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-5(2)7-4-6(3)9-8-7;6*1-2/h7H,4-6H2,1-3H3;2*3-7H,1-2H3;3*3-6H,1-2H3;4-5H,1-3H3;6*1-2H3
InChIKeyFCKFCCIOBVUBOM-UHFFFAOYSA-N
XLogP17.64
TPSA152.70 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001070.70
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze ethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The IUPAC name of ethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine (CID 163542644) is ethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.
What is the SMILES notation for ethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The canonical SMILES for ethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is CC.CC.CC.CC.CC.CC.CC(C)N1CCN(C)CC1=O.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnc1.Cc1cc(C(C)C)no1.
What is the InChIKey of ethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The InChIKey is FCKFCCIOBVUBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.2C8H11N.3C7H10N2.C7H11NO.6C2H6/c1-7(2)10-5-4-9(3)6-8(10)11;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-5(2)7-4-6(3)9-8-7;6*1-2/h7H,4-6H2,1-3H3;2*3-7H,1-2H3;3*3-6H,1-2H3;4-5H,1-3H3;6*1-2H3.
What are the key properties of ethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
ethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine has a molecular weight of 1070.70 g/mol, XLogP of 17.64, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpiperazin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is sourced from PubChem (CID 163542644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).