5-propylpyrimidine

C7H10N2 — CID 22182378

IUPAC5-propylpyrimidine
SMILESCCCc1cncnc1
InChIInChI=1S/C7H10N2/c1-2-3-7-4-8-6-9-5-7/h4-6H,2-3H2,1H3
InChIKeyKQDSGLOOXIYGDD-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.43
Rot. Bonds2

About 5-propylpyrimidine

5-propylpyrimidine (PubChem CID 22182378) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 5-propylpyrimidine.

Molecular Properties

Compound Name5-propylpyrimidine
PubChem CID22182378
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name5-propylpyrimidine
SMILESCCCc1cncnc1
InChIInChI=1S/C7H10N2/c1-2-3-7-4-8-6-9-5-7/h4-6H,2-3H2,1H3
InChIKeyKQDSGLOOXIYGDD-UHFFFAOYSA-N
XLogP1.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methylpyrimidine
CID 74859
1-Azabicyclo[2.2.2]oct-2-ene, 3-(5-pyrimidinyl)-
CID 10877865
2-Chloro-5-ethylpyrimidine
CID 3572763
4,5-Dimethylpyrimidine
CID 572516
5-(Heptafluoropropyl)pyrimidine
CID 119085065
3-(2-Aminopyrimidin-5-yl)propan-1-ol
CID 66523862
2,4-Dichloro-5-cyclopropylpyrimidine
CID 55270783
2-Chloro-5-propylpyrimidine
CID 2735784
2-Chloro-5-pentylpyrimidine
CID 16756526
2,4-Dichloro-5-ethylpyrimidine
CID 10012458
5-Cyclohexylpyrimidin-2-amine
CID 13163993
3-(Pyrimidin-5-yl)propan-1-amine
CID 15703007

Frequently Asked Questions

What is the IUPAC name of 5-propylpyrimidine?
The IUPAC name of 5-propylpyrimidine (CID 22182378) is 5-propylpyrimidine.
What is the SMILES notation for 5-propylpyrimidine?
The canonical SMILES for 5-propylpyrimidine is CCCc1cncnc1.
What is the InChIKey of 5-propylpyrimidine?
The InChIKey is KQDSGLOOXIYGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-3-7-4-8-6-9-5-7/h4-6H,2-3H2,1H3.
What are the key properties of 5-propylpyrimidine?
5-propylpyrimidine has a molecular weight of 122.17 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylpyrimidine is sourced from PubChem (CID 22182378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).