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

C10H22N2 — CID 176553144

IUPACethane;5-methyl-1,4-dihydropyrimidine;propane
SMILESCC.CC1=CNC=NC1.CCC
InChIInChI=1S/C5H8N2.C3H8.C2H6/c1-5-2-6-4-7-3-5;1-3-2;1-2/h2,4H,3H2,1H3,(H,6,7);3H2,1-2H3;1-2H3
InChIKeyPRMRONYLSMUATA-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.96
Rot. Bonds

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

ethane;5-methyl-1,4-dihydropyrimidine;propane (PubChem CID 176553144) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;5-methyl-1,4-dihydropyrimidine;propane.

Molecular Properties

Compound Nameethane;5-methyl-1,4-dihydropyrimidine;propane
PubChem CID176553144
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;5-methyl-1,4-dihydropyrimidine;propane
SMILESCC.CC1=CNC=NC1.CCC
InChIInChI=1S/C5H8N2.C3H8.C2H6/c1-5-2-6-4-7-3-5;1-3-2;1-2/h2,4H,3H2,1H3,(H,6,7);3H2,1-2H3;1-2H3
InChIKeyPRMRONYLSMUATA-UHFFFAOYSA-N
XLogP2.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dimethyl-1,4-dihydropyrimidine
CID 57275033
2-Fluoro-5-methyl-1,4-dihydropyrimidine
CID 147028247
5-Methyl-1,4-dihydropyrimidine
CID 57014191
5-Ethyl-1,4-dihydropyrimidine
CID 57274878
1,2,3-Tris(2-methylprop-1-enyl)guanidine
CID 58030695
5-Methyl-1,4-dihydropyrimidin-2-amine
CID 68310657
2-(2-Aminoethyl)-1-methylidene-3-(2-methylprop-1-enyl)guanidine
CID 89057838
N'-[(E)-3-amino-2-methylprop-1-enyl]-N-methylidenemethanimidamide
CID 89335540
N'-methyl-N-(2-methylbut-1-enyl)methanimidamide
CID 89934043
N,5-dimethyl-1,4-dihydropyrimidin-4-amine
CID 90452820
5-Prop-1-ynyl-1,4-dihydropyrimidine
CID 91801312
N'-methyl-N-[(E)-2-methylbut-1-enyl]methanimidamide
CID 117756155

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,4-dihydropyrimidine;propane?
The IUPAC name of ethane;5-methyl-1,4-dihydropyrimidine;propane (CID 176553144) is ethane;5-methyl-1,4-dihydropyrimidine;propane.
What is the SMILES notation for ethane;5-methyl-1,4-dihydropyrimidine;propane?
The canonical SMILES for ethane;5-methyl-1,4-dihydropyrimidine;propane is CC.CC1=CNC=NC1.CCC.
What is the InChIKey of ethane;5-methyl-1,4-dihydropyrimidine;propane?
The InChIKey is PRMRONYLSMUATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C3H8.C2H6/c1-5-2-6-4-7-3-5;1-3-2;1-2/h2,4H,3H2,1H3,(H,6,7);3H2,1-2H3;1-2H3.
What are the key properties of ethane;5-methyl-1,4-dihydropyrimidine;propane?
ethane;5-methyl-1,4-dihydropyrimidine;propane has a molecular weight of 170.30 g/mol, XLogP of 2.96, 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;propane is sourced from PubChem (CID 176553144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).