ethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine

C11H20N2 — CID 161115450

IUPACethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine
SMILESC=C1N=C(C)C=CN1C(C)C.CC
InChIInChI=1S/C9H14N2.C2H6/c1-7(2)11-6-5-8(3)10-9(11)4;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyUKGIIJWZXVIASU-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.18
Rot. Bonds1

About ethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine

ethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine (PubChem CID 161115450) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine.

Molecular Properties

Compound Nameethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine
PubChem CID161115450
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine
SMILESC=C1N=C(C)C=CN1C(C)C.CC
InChIInChI=1S/C9H14N2.C2H6/c1-7(2)11-6-5-8(3)10-9(11)4;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyUKGIIJWZXVIASU-UHFFFAOYSA-N
XLogP3.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine?
The IUPAC name of ethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine (CID 161115450) is ethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine.
What is the SMILES notation for ethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine?
The canonical SMILES for ethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine is C=C1N=C(C)C=CN1C(C)C.CC.
What is the InChIKey of ethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine?
The InChIKey is UKGIIJWZXVIASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-7(2)11-6-5-8(3)10-9(11)4;1-2/h5-7H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine?
ethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine has a molecular weight of 180.29 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-methylidene-1-propan-2-ylpyrimidine is sourced from PubChem (CID 161115450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).