1-propan-2-yl-6-propan-2-ylidenepyrimidine

C10H16N2 — CID 166004112

IUPAC1-propan-2-yl-6-propan-2-ylidenepyrimidine
SMILESCC(C)=C1C=CN=CN1C(C)C
InChIInChI=1S/C10H16N2/c1-8(2)10-5-6-11-7-12(10)9(3)4/h5-7,9H,1-4H3
InChIKeyQDIBILBVSWYWRO-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds1

About 1-propan-2-yl-6-propan-2-ylidenepyrimidine

1-propan-2-yl-6-propan-2-ylidenepyrimidine (PubChem CID 166004112) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-propan-2-yl-6-propan-2-ylidenepyrimidine.

Molecular Properties

Compound Name1-propan-2-yl-6-propan-2-ylidenepyrimidine
PubChem CID166004112
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-propan-2-yl-6-propan-2-ylidenepyrimidine
SMILESCC(C)=C1C=CN=CN1C(C)C
InChIInChI=1S/C10H16N2/c1-8(2)10-5-6-11-7-12(10)9(3)4/h5-7,9H,1-4H3
InChIKeyQDIBILBVSWYWRO-UHFFFAOYSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-6-propan-2-ylidenepyrimidine?
The IUPAC name of 1-propan-2-yl-6-propan-2-ylidenepyrimidine (CID 166004112) is 1-propan-2-yl-6-propan-2-ylidenepyrimidine.
What is the SMILES notation for 1-propan-2-yl-6-propan-2-ylidenepyrimidine?
The canonical SMILES for 1-propan-2-yl-6-propan-2-ylidenepyrimidine is CC(C)=C1C=CN=CN1C(C)C.
What is the InChIKey of 1-propan-2-yl-6-propan-2-ylidenepyrimidine?
The InChIKey is QDIBILBVSWYWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)10-5-6-11-7-12(10)9(3)4/h5-7,9H,1-4H3.
What are the key properties of 1-propan-2-yl-6-propan-2-ylidenepyrimidine?
1-propan-2-yl-6-propan-2-ylidenepyrimidine has a molecular weight of 164.25 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6-propan-2-ylidenepyrimidine is sourced from PubChem (CID 166004112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).