ethane;5-methyl-1,4-dihydropyrimidine

C7H14N2 — CID 177158702

IUPACethane;5-methyl-1,4-dihydropyrimidine
SMILESCC.CC1=CNC=NC1
InChIInChI=1S/C5H8N2.C2H6/c1-5-2-6-4-7-3-5;1-2/h2,4H,3H2,1H3,(H,6,7);1-2H3
InChIKeyKWXOYPSMLARRFT-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds

About ethane;5-methyl-1,4-dihydropyrimidine

ethane;5-methyl-1,4-dihydropyrimidine (PubChem CID 177158702) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is ethane;5-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Nameethane;5-methyl-1,4-dihydropyrimidine
PubChem CID177158702
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Nameethane;5-methyl-1,4-dihydropyrimidine
SMILESCC.CC1=CNC=NC1
InChIInChI=1S/C5H8N2.C2H6/c1-5-2-6-4-7-3-5;1-2/h2,4H,3H2,1H3,(H,6,7);1-2H3
InChIKeyKWXOYPSMLARRFT-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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Related Compounds

4,5-Dimethyl-1,4-dihydropyrimidine
CID 57275033
5-(Trifluoromethyl)-1,4-dihydropyrimidine
CID 91135138
N'-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimidamide
CID 130179341
N'-[(Z)-2-fluoro-3-(methylamino)prop-2-enyl]methanimidamide
CID 135244616
2-Fluoro-5-methyl-1,4-dihydropyrimidine
CID 147028247
5-Methyl-1,4-dihydropyrimidine
CID 57014191
1,5-dimethyl-4H-pyrimidine
CID 57077369
5-Propan-2-yl-1,4-dihydropyrimidine
CID 57122773
5-Ethyl-1,4-dihydropyrimidine
CID 57274878
(5-Ethyl-1,4-dihydropyrimidin-2-yl)-methanidylazanium
CID 58832406
5-Methyl-1,4-dihydropyrimidin-2-amine
CID 68310657
2,5-Dimethyl-1,4-dihydropyrimidine
CID 69038475

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,4-dihydropyrimidine?
The IUPAC name of ethane;5-methyl-1,4-dihydropyrimidine (CID 177158702) is ethane;5-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for ethane;5-methyl-1,4-dihydropyrimidine?
The canonical SMILES for ethane;5-methyl-1,4-dihydropyrimidine is CC.CC1=CNC=NC1.
What is the InChIKey of ethane;5-methyl-1,4-dihydropyrimidine?
The InChIKey is KWXOYPSMLARRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C2H6/c1-5-2-6-4-7-3-5;1-2/h2,4H,3H2,1H3,(H,6,7);1-2H3.
What are the key properties of ethane;5-methyl-1,4-dihydropyrimidine?
ethane;5-methyl-1,4-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;5-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 177158702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).