2-propan-2-yl-4-propylpyrimidine

C10H16N2 — CID 58111235

IUPAC2-propan-2-yl-4-propylpyrimidine
SMILESCCCc1ccnc(C(C)C)n1
InChIInChI=1S/C10H16N2/c1-4-5-9-6-7-11-10(12-9)8(2)3/h6-8H,4-5H2,1-3H3
InChIKeyRKZLJGANMVUCRT-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.55
Rot. Bonds3

About 2-propan-2-yl-4-propylpyrimidine

2-propan-2-yl-4-propylpyrimidine (PubChem CID 58111235) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-propan-2-yl-4-propylpyrimidine.

Molecular Properties

Compound Name2-propan-2-yl-4-propylpyrimidine
PubChem CID58111235
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-propan-2-yl-4-propylpyrimidine
SMILESCCCc1ccnc(C(C)C)n1
InChIInChI=1S/C10H16N2/c1-4-5-9-6-7-11-10(12-9)8(2)3/h6-8H,4-5H2,1-3H3
InChIKeyRKZLJGANMVUCRT-UHFFFAOYSA-N
XLogP2.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 2-propan-2-yl-4-propylpyrimidine?
The IUPAC name of 2-propan-2-yl-4-propylpyrimidine (CID 58111235) is 2-propan-2-yl-4-propylpyrimidine.
What is the SMILES notation for 2-propan-2-yl-4-propylpyrimidine?
The canonical SMILES for 2-propan-2-yl-4-propylpyrimidine is CCCc1ccnc(C(C)C)n1.
What is the InChIKey of 2-propan-2-yl-4-propylpyrimidine?
The InChIKey is RKZLJGANMVUCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-5-9-6-7-11-10(12-9)8(2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-propan-2-yl-4-propylpyrimidine?
2-propan-2-yl-4-propylpyrimidine has a molecular weight of 164.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-propylpyrimidine is sourced from PubChem (CID 58111235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).