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

C12H21N5 — CID 53378711

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-6-tert-butylpyrimidin-2-amine
SMILESCC(C)(C)c1cc(N2CC[C@@H](N)C2)nc(N)n1
InChIInChI=1S/C12H21N5/c1-12(2,3)9-6-10(16-11(14)15-9)17-5-4-8(13)7-17/h6,8H,4-5,7,13H2,1-3H3,(H2,14,15,16)/t8-/m1/s1
InChIKeyKOFSTHKYIBCVEC-MRVPVSSYSA-N
MW235.33 g/mol
LogP0.89
Rot. Bonds1

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

4-[(3R)-3-aminopyrrolidin-1-yl]-6-tert-butylpyrimidin-2-amine (PubChem CID 53378711) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-6-tert-butylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-6-tert-butylpyrimidin-2-amine
PubChem CID53378711
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-6-tert-butylpyrimidin-2-amine
SMILESCC(C)(C)c1cc(N2CC[C@@H](N)C2)nc(N)n1
InChIInChI=1S/C12H21N5/c1-12(2,3)9-6-10(16-11(14)15-9)17-5-4-8(13)7-17/h6,8H,4-5,7,13H2,1-3H3,(H2,14,15,16)/t8-/m1/s1
InChIKeyKOFSTHKYIBCVEC-MRVPVSSYSA-N
XLogP0.89
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.89
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-tert-butylpyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-6-tert-butylpyrimidin-2-amine (CID 53378711) is 4-[(3R)-3-aminopyrrolidin-1-yl]-6-tert-butylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-6-tert-butylpyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-6-tert-butylpyrimidin-2-amine is CC(C)(C)c1cc(N2CC[C@@H](N)C2)nc(N)n1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-6-tert-butylpyrimidin-2-amine?
The InChIKey is KOFSTHKYIBCVEC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H21N5/c1-12(2,3)9-6-10(16-11(14)15-9)17-5-4-8(13)7-17/h6,8H,4-5,7,13H2,1-3H3,(H2,14,15,16)/t8-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-6-tert-butylpyrimidin-2-amine?
4-[(3R)-3-aminopyrrolidin-1-yl]-6-tert-butylpyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 0.89, 1 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-tert-butylpyrimidin-2-amine is sourced from PubChem (CID 53378711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).