2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine

C12H20N2 — CID 121321050

IUPAC2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine
SMILESC=C1NC(CCCC)=NC=C1C(C)C
InChIInChI=1S/C12H20N2/c1-5-6-7-12-13-8-11(9(2)3)10(4)14-12/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyGLUXSPRTCMTDOP-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.23
Rot. Bonds4

About 2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine

2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine (PubChem CID 121321050) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine.

Molecular Properties

Compound Name2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine
PubChem CID121321050
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine
SMILESC=C1NC(CCCC)=NC=C1C(C)C
InChIInChI=1S/C12H20N2/c1-5-6-7-12-13-8-11(9(2)3)10(4)14-12/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyGLUXSPRTCMTDOP-UHFFFAOYSA-N
XLogP3.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine?
The IUPAC name of 2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine (CID 121321050) is 2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine.
What is the SMILES notation for 2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine?
The canonical SMILES for 2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine is C=C1NC(CCCC)=NC=C1C(C)C.
What is the InChIKey of 2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine?
The InChIKey is GLUXSPRTCMTDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-6-7-12-13-8-11(9(2)3)10(4)14-12/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine?
2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine has a molecular weight of 192.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-methylidene-5-propan-2-yl-1H-pyrimidine is sourced from PubChem (CID 121321050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).