5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine

C12H19N5 — CID 72907839

IUPAC5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine
SMILESNc1ncc(CN2C[C@H](C3CC3)[C@@H](N)C2)cn1
InChIInChI=1S/C12H19N5/c13-11-7-17(6-10(11)9-1-2-9)5-8-3-15-12(14)16-4-8/h3-4,9-11H,1-2,5-7,13H2,(H2,14,15,16)/t10-,11+/m1/s1
InChIKeyGPMQVAPROIMHCJ-MNOVXSKESA-N
MW233.32 g/mol
LogP0.23
Rot. Bonds3

About 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine

5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 72907839) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID72907839
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine
SMILESNc1ncc(CN2C[C@H](C3CC3)[C@@H](N)C2)cn1
InChIInChI=1S/C12H19N5/c13-11-7-17(6-10(11)9-1-2-9)5-8-3-15-12(14)16-4-8/h3-4,9-11H,1-2,5-7,13H2,(H2,14,15,16)/t10-,11+/m1/s1
InChIKeyGPMQVAPROIMHCJ-MNOVXSKESA-N
XLogP0.23
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine (CID 72907839) is 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine is Nc1ncc(CN2C[C@H](C3CC3)[C@@H](N)C2)cn1.
What is the InChIKey of 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is GPMQVAPROIMHCJ-MNOVXSKESA-N. The full InChI is InChI=1S/C12H19N5/c13-11-7-17(6-10(11)9-1-2-9)5-8-3-15-12(14)16-4-8/h3-4,9-11H,1-2,5-7,13H2,(H2,14,15,16)/t10-,11+/m1/s1.
What are the key properties of 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine?
5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 233.32 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 72907839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).