ethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine

C10H15N3 — CID 143715542

IUPACethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine
SMILESCC.CC1=CC=NC2=CC=NCN12
InChIInChI=1S/C8H9N3.C2H6/c1-7-2-5-10-8-3-4-9-6-11(7)8;1-2/h2-5H,6H2,1H3;1-2H3
InChIKeyJXAQLTHSFGIPKK-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.19
Rot. Bonds

About ethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine

ethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine (PubChem CID 143715542) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is ethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine.

Molecular Properties

Compound Nameethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine
PubChem CID143715542
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Nameethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine
SMILESCC.CC1=CC=NC2=CC=NCN12
InChIInChI=1S/C8H9N3.C2H6/c1-7-2-5-10-8-3-4-9-6-11(7)8;1-2/h2-5H,6H2,1H3;1-2H3
InChIKeyJXAQLTHSFGIPKK-UHFFFAOYSA-N
XLogP2.19
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrido(1,2-c)pyrimidine
CID 18442756
9a-Methylpyrimido[1,2-a]pyrimidine
CID 57796483
1,6-Dimethyl-2-methylidenepyrimidine
CID 58719906
1-Ethyl-6-methyl-2-methylidenepyrimidine
CID 58719966
4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine
CID 59283470
4-methyl-8H-pyrazino[1,2-a]pyrimidine
CID 68028384
4-methyl-6H-pyrimido[1,6-a]pyrimidine
CID 68250928
1,6-Dimethyl-2-methylidenepyrimidine;ethane
CID 91418894
Ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane
CID 91559484
2-Ethyl-1,2,6-trimethylpyrimidine
CID 123349703
N-[(Z)-1-(2H-pyrimidin-1-yl)prop-1-en-2-yl]methanimine
CID 126688059
(2E)-2-ethylidene-1,6-dimethylpyrimidine
CID 135253872

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine?
The IUPAC name of ethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine (CID 143715542) is ethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine.
What is the SMILES notation for ethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine?
The canonical SMILES for ethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine is CC.CC1=CC=NC2=CC=NCN12.
What is the InChIKey of ethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine?
The InChIKey is JXAQLTHSFGIPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3.C2H6/c1-7-2-5-10-8-3-4-9-6-11(7)8;1-2/h2-5H,6H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine?
ethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine has a molecular weight of 177.25 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-6H-pyrimido[1,6-a]pyrimidine is sourced from PubChem (CID 143715542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).