2-pyrrolidin-1-yl-1,4-dihydropyrimidine

C8H13N3 — CID 173057043

IUPAC2-pyrrolidin-1-yl-1,4-dihydropyrimidine
SMILESC1=CNC(N2CCCC2)=NC1
InChIInChI=1S/C8H13N3/c1-2-7-11(6-1)8-9-4-3-5-10-8/h3-4H,1-2,5-7H2,(H,9,10)
InChIKeySNAPYPFWVQJBCV-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.56
Rot. Bonds

About 2-pyrrolidin-1-yl-1,4-dihydropyrimidine

2-pyrrolidin-1-yl-1,4-dihydropyrimidine (PubChem CID 173057043) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1,4-dihydropyrimidine
PubChem CID173057043
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-pyrrolidin-1-yl-1,4-dihydropyrimidine
SMILESC1=CNC(N2CCCC2)=NC1
InChIInChI=1S/C8H13N3/c1-2-7-11(6-1)8-9-4-3-5-10-8/h3-4H,1-2,5-7H2,(H,9,10)
InChIKeySNAPYPFWVQJBCV-UHFFFAOYSA-N
XLogP0.56
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1,4-dihydropyrimidine?
The IUPAC name of 2-pyrrolidin-1-yl-1,4-dihydropyrimidine (CID 173057043) is 2-pyrrolidin-1-yl-1,4-dihydropyrimidine.
What is the SMILES notation for 2-pyrrolidin-1-yl-1,4-dihydropyrimidine?
The canonical SMILES for 2-pyrrolidin-1-yl-1,4-dihydropyrimidine is C1=CNC(N2CCCC2)=NC1.
What is the InChIKey of 2-pyrrolidin-1-yl-1,4-dihydropyrimidine?
The InChIKey is SNAPYPFWVQJBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-7-11(6-1)8-9-4-3-5-10-8/h3-4H,1-2,5-7H2,(H,9,10).
What are the key properties of 2-pyrrolidin-1-yl-1,4-dihydropyrimidine?
2-pyrrolidin-1-yl-1,4-dihydropyrimidine has a molecular weight of 151.21 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1,4-dihydropyrimidine is sourced from PubChem (CID 173057043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).