ethane;2-propan-2-yl-1,4-dihydropyrimidine

C9H18N2 — CID 143121015

IUPACethane;2-propan-2-yl-1,4-dihydropyrimidine
SMILESCC.CC(C)C1=NCC=CN1
InChIInChI=1S/C7H12N2.C2H6/c1-6(2)7-8-4-3-5-9-7;1-2/h3-4,6H,5H2,1-2H3,(H,8,9);1-2H3
InChIKeyPOIXCXUPYDXIRB-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.18
Rot. Bonds1

About ethane;2-propan-2-yl-1,4-dihydropyrimidine

ethane;2-propan-2-yl-1,4-dihydropyrimidine (PubChem CID 143121015) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1,4-dihydropyrimidine.

Molecular Properties

Compound Nameethane;2-propan-2-yl-1,4-dihydropyrimidine
PubChem CID143121015
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;2-propan-2-yl-1,4-dihydropyrimidine
SMILESCC.CC(C)C1=NCC=CN1
InChIInChI=1S/C7H12N2.C2H6/c1-6(2)7-8-4-3-5-9-7;1-2/h3-4,6H,5H2,1-2H3,(H,8,9);1-2H3
InChIKeyPOIXCXUPYDXIRB-UHFFFAOYSA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1,4-dihydropyrimidine?
The IUPAC name of ethane;2-propan-2-yl-1,4-dihydropyrimidine (CID 143121015) is ethane;2-propan-2-yl-1,4-dihydropyrimidine.
What is the SMILES notation for ethane;2-propan-2-yl-1,4-dihydropyrimidine?
The canonical SMILES for ethane;2-propan-2-yl-1,4-dihydropyrimidine is CC.CC(C)C1=NCC=CN1.
What is the InChIKey of ethane;2-propan-2-yl-1,4-dihydropyrimidine?
The InChIKey is POIXCXUPYDXIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-6(2)7-8-4-3-5-9-7;1-2/h3-4,6H,5H2,1-2H3,(H,8,9);1-2H3.
What are the key properties of ethane;2-propan-2-yl-1,4-dihydropyrimidine?
ethane;2-propan-2-yl-1,4-dihydropyrimidine has a molecular weight of 154.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1,4-dihydropyrimidine is sourced from PubChem (CID 143121015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).