ethane;6-methyl-1,2-dihydropyrimidine

C7H14N2 — CID 142141020

IUPACethane;6-methyl-1,2-dihydropyrimidine
SMILESCC.CC1=CC=NCN1
InChIInChI=1S/C5H8N2.C2H6/c1-5-2-3-6-4-7-5;1-2/h2-3,7H,4H2,1H3;1-2H3
InChIKeyWAWMNEPUZGTHCP-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds

About ethane;6-methyl-1,2-dihydropyrimidine

ethane;6-methyl-1,2-dihydropyrimidine (PubChem CID 142141020) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is ethane;6-methyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Nameethane;6-methyl-1,2-dihydropyrimidine
PubChem CID142141020
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Nameethane;6-methyl-1,2-dihydropyrimidine
SMILESCC.CC1=CC=NCN1
InChIInChI=1S/C5H8N2.C2H6/c1-5-2-3-6-4-7-5;1-2/h2-3,7H,4H2,1H3;1-2H3
InChIKeyWAWMNEPUZGTHCP-UHFFFAOYSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-1,2-dihydropyrimidine?
The IUPAC name of ethane;6-methyl-1,2-dihydropyrimidine (CID 142141020) is ethane;6-methyl-1,2-dihydropyrimidine.
What is the SMILES notation for ethane;6-methyl-1,2-dihydropyrimidine?
The canonical SMILES for ethane;6-methyl-1,2-dihydropyrimidine is CC.CC1=CC=NCN1.
What is the InChIKey of ethane;6-methyl-1,2-dihydropyrimidine?
The InChIKey is WAWMNEPUZGTHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C2H6/c1-5-2-3-6-4-7-5;1-2/h2-3,7H,4H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-1,2-dihydropyrimidine?
ethane;6-methyl-1,2-dihydropyrimidine has a molecular weight of 126.20 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-1,2-dihydropyrimidine is sourced from PubChem (CID 142141020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).