1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine

C11H19N3 — CID 174893610

IUPAC1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine
SMILESCC(C)N1C=CC(C2CCNC2)=NC1
InChIInChI=1S/C11H19N3/c1-9(2)14-6-4-11(13-8-14)10-3-5-12-7-10/h4,6,9-10,12H,3,5,7-8H2,1-2H3
InChIKeyZDOKPJALSIXWAO-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.23
Rot. Bonds2

About 1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine

1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine (PubChem CID 174893610) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine.

Molecular Properties

Compound Name1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine
PubChem CID174893610
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine
SMILESCC(C)N1C=CC(C2CCNC2)=NC1
InChIInChI=1S/C11H19N3/c1-9(2)14-6-4-11(13-8-14)10-3-5-12-7-10/h4,6,9-10,12H,3,5,7-8H2,1-2H3
InChIKeyZDOKPJALSIXWAO-UHFFFAOYSA-N
XLogP1.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine?
The IUPAC name of 1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine (CID 174893610) is 1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine.
What is the SMILES notation for 1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine?
The canonical SMILES for 1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine is CC(C)N1C=CC(C2CCNC2)=NC1.
What is the InChIKey of 1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine?
The InChIKey is ZDOKPJALSIXWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(2)14-6-4-11(13-8-14)10-3-5-12-7-10/h4,6,9-10,12H,3,5,7-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine?
1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine has a molecular weight of 193.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-pyrrolidin-3-yl-2H-pyrimidine is sourced from PubChem (CID 174893610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).