ethane;2-(2-methylbutyl)pyrimidine

C11H20N2 — CID 170603864

IUPACethane;2-(2-methylbutyl)pyrimidine
SMILESCC.CCC(C)Cc1ncccn1
InChIInChI=1S/C9H14N2.C2H6/c1-3-8(2)7-9-10-5-4-6-11-9;1-2/h4-6,8H,3,7H2,1-2H3;1-2H3
InChIKeySMBKMSKLHNLFEO-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.09
Rot. Bonds3

About ethane;2-(2-methylbutyl)pyrimidine

ethane;2-(2-methylbutyl)pyrimidine (PubChem CID 170603864) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;2-(2-methylbutyl)pyrimidine.

Molecular Properties

Compound Nameethane;2-(2-methylbutyl)pyrimidine
PubChem CID170603864
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;2-(2-methylbutyl)pyrimidine
SMILESCC.CCC(C)Cc1ncccn1
InChIInChI=1S/C9H14N2.C2H6/c1-3-8(2)7-9-10-5-4-6-11-9;1-2/h4-6,8H,3,7H2,1-2H3;1-2H3
InChIKeySMBKMSKLHNLFEO-UHFFFAOYSA-N
XLogP3.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylpentyl)pyrimidine
CID 57256204
ethane;2-(2-methylpropyl)pyrimidine
CID 169144494
(2R)-1-pyrimidin-2-ylpropan-2-amine
CID 95028657
N-methyl-1-pyrimidin-2-ylbutan-2-amine
CID 63201821
3-methyl-4-pyrimidin-2-ylbutan-2-ol
CID 79424538
(2R,3R)-3-fluoro-1-pyrimidin-2-ylpentan-2-amine
CID 135132893
1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
(2S,3S)-3-methoxy-1-pyrimidin-2-ylpentan-2-amine
CID 135132665
ethane;2-(2-methylbutylsulfanyl)pyridine
CID 90957639
1-(2-methylbutyl)isoquinoline;hydroiodide
CID 173406733
2-(7-methylnonan-4-yloxy)pyrimidine
CID 57042354
ethane;pyrimidin-2-ylmethanol
CID 143639944

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methylbutyl)pyrimidine?
The IUPAC name of ethane;2-(2-methylbutyl)pyrimidine (CID 170603864) is ethane;2-(2-methylbutyl)pyrimidine.
What is the SMILES notation for ethane;2-(2-methylbutyl)pyrimidine?
The canonical SMILES for ethane;2-(2-methylbutyl)pyrimidine is CC.CCC(C)Cc1ncccn1.
What is the InChIKey of ethane;2-(2-methylbutyl)pyrimidine?
The InChIKey is SMBKMSKLHNLFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-3-8(2)7-9-10-5-4-6-11-9;1-2/h4-6,8H,3,7H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(2-methylbutyl)pyrimidine?
ethane;2-(2-methylbutyl)pyrimidine has a molecular weight of 180.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methylbutyl)pyrimidine is sourced from PubChem (CID 170603864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).