5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine

C14H24N4 — CID 131936847

IUPAC5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine
SMILESCCCc1cnc(NC2CCN(CCC)C2)nc1
InChIInChI=1S/C14H24N4/c1-3-5-12-9-15-14(16-10-12)17-13-6-8-18(11-13)7-4-2/h9-10,13H,3-8,11H2,1-2H3,(H,15,16,17)
InChIKeyPUDRBTQLBUYLPD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.33
Rot. Bonds6

About 5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine

5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine (PubChem CID 131936847) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine
PubChem CID131936847
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine
SMILESCCCc1cnc(NC2CCN(CCC)C2)nc1
InChIInChI=1S/C14H24N4/c1-3-5-12-9-15-14(16-10-12)17-13-6-8-18(11-13)7-4-2/h9-10,13H,3-8,11H2,1-2H3,(H,15,16,17)
InChIKeyPUDRBTQLBUYLPD-UHFFFAOYSA-N
XLogP2.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine (CID 131936847) is 5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine is CCCc1cnc(NC2CCN(CCC)C2)nc1.
What is the InChIKey of 5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine?
The InChIKey is PUDRBTQLBUYLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-5-12-9-15-14(16-10-12)17-13-6-8-18(11-13)7-4-2/h9-10,13H,3-8,11H2,1-2H3,(H,15,16,17).
What are the key properties of 5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine?
5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 131936847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).