ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine

C18H32N4 — CID 160766869

IUPACethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
SMILESCC.CC.CC(C)c1ccncn1.CC(C)c1cncnc1
InChIInChI=1S/2C7H10N2.2C2H6/c1-6(2)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-9-7;2*1-2/h2*3-6H,1-2H3;2*1-2H3
InChIKeyRYUGSSALEFCYAD-UHFFFAOYSA-N
MW304.48 g/mol
LogP5.25
Rot. Bonds2

About ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine

ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine (PubChem CID 160766869) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.

Molecular Properties

Compound Nameethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
PubChem CID160766869
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Nameethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
SMILESCC.CC.CC(C)c1ccncn1.CC(C)c1cncnc1
InChIInChI=1S/2C7H10N2.2C2H6/c1-6(2)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-9-7;2*1-2/h2*3-6H,1-2H3;2*1-2H3
InChIKeyRYUGSSALEFCYAD-UHFFFAOYSA-N
XLogP5.25
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The IUPAC name of ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine (CID 160766869) is ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.
What is the SMILES notation for ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The canonical SMILES for ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is CC.CC.CC(C)c1ccncn1.CC(C)c1cncnc1.
What is the InChIKey of ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The InChIKey is RYUGSSALEFCYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10N2.2C2H6/c1-6(2)7-3-8-5-9-4-7;1-6(2)7-3-4-8-5-9-7;2*1-2/h2*3-6H,1-2H3;2*1-2H3.
What are the key properties of ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine has a molecular weight of 304.48 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is sourced from PubChem (CID 160766869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).