ethane;2-ethyl-4-propan-2-ylpyrimidine

C13H26N2 — CID 154681512

IUPACethane;2-ethyl-4-propan-2-ylpyrimidine
SMILESCC.CC.CCc1nccc(C(C)C)n1
InChIInChI=1S/C9H14N2.2C2H6/c1-4-9-10-6-5-8(11-9)7(2)3;2*1-2/h5-7H,4H2,1-3H3;2*1-2H3
InChIKeyJPWYHNSZWXCTRA-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.21
Rot. Bonds2

About ethane;2-ethyl-4-propan-2-ylpyrimidine

ethane;2-ethyl-4-propan-2-ylpyrimidine (PubChem CID 154681512) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;2-ethyl-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Nameethane;2-ethyl-4-propan-2-ylpyrimidine
PubChem CID154681512
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;2-ethyl-4-propan-2-ylpyrimidine
SMILESCC.CC.CCc1nccc(C(C)C)n1
InChIInChI=1S/C9H14N2.2C2H6/c1-4-9-10-6-5-8(11-9)7(2)3;2*1-2/h5-7H,4H2,1-3H3;2*1-2H3
InChIKeyJPWYHNSZWXCTRA-UHFFFAOYSA-N
XLogP4.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;2-ethyl-4-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

Related Compounds

ethane;2-ethyl-4-propan-2-ylpyrimidine;sulfanol
CID 165133315
N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine
CID 63318725
1-(4-propan-2-ylpyrimidin-2-yl)propan-2-amine
CID 63318928
2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine
CID 58278816
4-propan-2-yl-2-(2-pyrimidin-5-ylpropyl)pyrimidine
CID 146214625
4-[3-(4-propan-2-ylpyrimidin-2-yl)propyl]aniline
CID 96664622
3-(4-propan-2-ylpyrimidin-2-yl)pentan-3-amine
CID 63319355
N,N-dimethyl-4-propan-2-ylpyrimidin-2-amine
CID 10820941
3-[(4-propan-2-ylpyrimidin-2-yl)methoxy]aniline
CID 82478145
4-propan-2-yl-2-(2,2,2-trifluoroethoxy)pyrimidine
CID 90379560
2-chloro-5-[2-(4-propan-2-ylpyrimidin-2-yl)ethyl]aniline
CID 98019806
N,N-diethyl-3-(2-ethylpyrimidin-4-yl)propan-1-amine
CID 67812536

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-propan-2-ylpyrimidine?
The IUPAC name of ethane;2-ethyl-4-propan-2-ylpyrimidine (CID 154681512) is ethane;2-ethyl-4-propan-2-ylpyrimidine.
What is the SMILES notation for ethane;2-ethyl-4-propan-2-ylpyrimidine?
The canonical SMILES for ethane;2-ethyl-4-propan-2-ylpyrimidine is CC.CC.CCc1nccc(C(C)C)n1.
What is the InChIKey of ethane;2-ethyl-4-propan-2-ylpyrimidine?
The InChIKey is JPWYHNSZWXCTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.2C2H6/c1-4-9-10-6-5-8(11-9)7(2)3;2*1-2/h5-7H,4H2,1-3H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-4-propan-2-ylpyrimidine?
ethane;2-ethyl-4-propan-2-ylpyrimidine has a molecular weight of 210.36 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-propan-2-ylpyrimidine is sourced from PubChem (CID 154681512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).