ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine

C15H29N3 — CID 170578345

IUPACethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
SMILESCC.CC.CC(C)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C11H17N3.2C2H6/c1-9(2)10-7-12-11(13-8-10)14-5-3-4-6-14;2*1-2/h7-9H,3-6H2,1-2H3;2*1-2H3
InChIKeyBYWJGJIZTRNJHQ-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.25
Rot. Bonds2

About ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine

ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 170578345) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Nameethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
PubChem CID170578345
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Nameethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
SMILESCC.CC.CC(C)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C11H17N3.2C2H6/c1-9(2)10-7-12-11(13-8-10)14-5-3-4-6-14;2*1-2/h7-9H,3-6H2,1-2H3;2*1-2H3
InChIKeyBYWJGJIZTRNJHQ-UHFFFAOYSA-N
XLogP4.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-5-ethylpyrimidine
CID 3572763
5-(Propan-2-yl)pyrimidin-2-amine
CID 20823899
2,4-Dichloro-5-(propan-2-yl)pyrimidine
CID 21058690
5-Ethylpyrimidin-2-amine
CID 23131355
2-(Pyrimidin-5-yl)ethan-1-amine
CID 27281450
2-Chloro-5-(prop-1-en-2-yl)pyrimidine
CID 58485316
2-Bromo-5-ethylpyrimidine
CID 66520097
2-Bromo-5-tert-butylpyrimidine
CID 83917119
2-Chloro-5-(2-fluoropropan-2-yl)pyrimidine
CID 165754623
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine
CID 71995855
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
CID 71995875
5-Ethyl-N-methyl-2-pyrimidinamine
CID 23423798

Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine (CID 170578345) is ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine is CC.CC.CC(C)c1cnc(N2CCCC2)nc1.
What is the InChIKey of ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is BYWJGJIZTRNJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.2C2H6/c1-9(2)10-7-12-11(13-8-10)14-5-3-4-6-14;2*1-2/h7-9H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine?
ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 251.42 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 170578345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).