ethane;3-methyloxane;2-methylpyrimidine

C15H30N2O — CID 167576171

IUPACethane;3-methyloxane;2-methylpyrimidine
SMILESCC.CC.CC1CCCOC1.Cc1ncccn1
InChIInChI=1S/C6H12O.C5H6N2.2C2H6/c1-6-3-2-4-7-5-6;1-5-6-3-2-4-7-5;2*1-2/h6H,2-5H2,1H3;2-4H,1H3;2*1-2H3
InChIKeyGOGDCSPXZOMNAS-UHFFFAOYSA-N
MW254.42 g/mol
LogP4.27
Rot. Bonds

About ethane;3-methyloxane;2-methylpyrimidine

ethane;3-methyloxane;2-methylpyrimidine (PubChem CID 167576171) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is ethane;3-methyloxane;2-methylpyrimidine.

Molecular Properties

Compound Nameethane;3-methyloxane;2-methylpyrimidine
PubChem CID167576171
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Nameethane;3-methyloxane;2-methylpyrimidine
SMILESCC.CC.CC1CCCOC1.Cc1ncccn1
InChIInChI=1S/C6H12O.C5H6N2.2C2H6/c1-6-3-2-4-7-5-6;1-5-6-3-2-4-7-5;2*1-2/h6H,2-5H2,1H3;2-4H,1H3;2*1-2H3
InChIKeyGOGDCSPXZOMNAS-UHFFFAOYSA-N
XLogP4.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;3-methyloxane;2-methylpyrimidine 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-[[1-(Cyclopropylmethyl)piperidin-4-yl]methoxy]pyrimidine;hydrochloride
CID 45265071
5-Bromo-2-(oxan-4-yl)pyrimidine
CID 76848543
2-(Pentyloxy)pyrimidin-4-amine
CID 308511
2-N,2-N,4-N-trimethyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 75423627
2-N,2-N,4-N-trimethyl-4-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
CID 75423984
Pyrimidine, 2-butoxy-
CID 19373012
Pyrimidine, 2-isobutoxy-
CID 23388567
{1-[(Pyrimidin-2-yl)methyl]piperidin-4-yl}methanol
CID 62699790
4-(Pyrimidin-2-yl)oxan-4-amine
CID 126980358
4-(2-Pyrimidinyl)morpholine
CID 13098183
Octyloxypyrimidine
CID 19389365
Isobutylpyrimidine
CID 20081650

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyloxane;2-methylpyrimidine?
The IUPAC name of ethane;3-methyloxane;2-methylpyrimidine (CID 167576171) is ethane;3-methyloxane;2-methylpyrimidine.
What is the SMILES notation for ethane;3-methyloxane;2-methylpyrimidine?
The canonical SMILES for ethane;3-methyloxane;2-methylpyrimidine is CC.CC.CC1CCCOC1.Cc1ncccn1.
What is the InChIKey of ethane;3-methyloxane;2-methylpyrimidine?
The InChIKey is GOGDCSPXZOMNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C5H6N2.2C2H6/c1-6-3-2-4-7-5-6;1-5-6-3-2-4-7-5;2*1-2/h6H,2-5H2,1H3;2-4H,1H3;2*1-2H3.
What are the key properties of ethane;3-methyloxane;2-methylpyrimidine?
ethane;3-methyloxane;2-methylpyrimidine has a molecular weight of 254.42 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyloxane;2-methylpyrimidine is sourced from PubChem (CID 167576171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).