4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine

C15H19N5 — CID 53378933

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine
SMILESNc1nc(Cc2ccccc2)cc(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C15H19N5/c16-12-6-7-20(10-12)14-9-13(18-15(17)19-14)8-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10,16H2,(H2,17,18,19)/t12-/m1/s1
InChIKeyRHWLGGMQMOADRO-GFCCVEGCSA-N
MW269.35 g/mol
LogP1.19
Rot. Bonds3

About 4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine

4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine (PubChem CID 53378933) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine
PubChem CID53378933
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine
SMILESNc1nc(Cc2ccccc2)cc(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C15H19N5/c16-12-6-7-20(10-12)14-9-13(18-15(17)19-14)8-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10,16H2,(H2,17,18,19)/t12-/m1/s1
InChIKeyRHWLGGMQMOADRO-GFCCVEGCSA-N
XLogP1.19
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine (CID 53378933) is 4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine is Nc1nc(Cc2ccccc2)cc(N2CC[C@@H](N)C2)n1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine?
The InChIKey is RHWLGGMQMOADRO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5/c16-12-6-7-20(10-12)14-9-13(18-15(17)19-14)8-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10,16H2,(H2,17,18,19)/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine?
4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]-6-benzylpyrimidin-2-amine is sourced from PubChem (CID 53378933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).