2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine

C8H13N3 — CID 163548759

IUPAC2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine
SMILESC1=CNC([C@H]2CCCN2)=NC1
InChIInChI=1S/C8H13N3/c1-3-7(9-4-1)8-10-5-2-6-11-8/h2,5,7,9H,1,3-4,6H2,(H,10,11)/t7-/m1/s1
InChIKeyFHGKVJYIQAXIRR-SSDOTTSWSA-N
MW151.21 g/mol
LogP0.25
Rot. Bonds1

About 2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine

2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine (PubChem CID 163548759) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine
PubChem CID163548759
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine
SMILESC1=CNC([C@H]2CCCN2)=NC1
InChIInChI=1S/C8H13N3/c1-3-7(9-4-1)8-10-5-2-6-11-8/h2,5,7,9H,1,3-4,6H2,(H,10,11)/t7-/m1/s1
InChIKeyFHGKVJYIQAXIRR-SSDOTTSWSA-N
XLogP0.25
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,4-dihydropyrimidin-2-yl)ethyl]propan-1-amine
CID 123441248
1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide
CID 123950440
N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine
CID 144768522
N-ethenyl-N'-methylpyrrolidine-2-carboximidamide
CID 145201844
(2S)-N-propan-2-yl-N'-prop-2-enylpyrrolidine-2-carboximidamide
CID 148104792
2-[(2S)-pyrrolidin-2-yl]-1,4-dihydroimidazol-4-ide;thorium
CID 153658124
N'-[(E)-prop-1-enyl]pyrrolidine-2-carboximidamide
CID 144443719

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine?
The IUPAC name of 2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine (CID 163548759) is 2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine.
What is the SMILES notation for 2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine?
The canonical SMILES for 2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine is C1=CNC([C@H]2CCCN2)=NC1.
What is the InChIKey of 2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine?
The InChIKey is FHGKVJYIQAXIRR-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-7(9-4-1)8-10-5-2-6-11-8/h2,5,7,9H,1,3-4,6H2,(H,10,11)/t7-/m1/s1.
What are the key properties of 2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine?
2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine has a molecular weight of 151.21 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine is sourced from PubChem (CID 163548759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).