4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

C13H21N5 — CID 53257796

IUPAC4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(C3CCC3)nc(N)n2)C1
InChIInChI=1S/C13H21N5/c1-15-10-5-6-18(8-10)12-7-11(9-3-2-4-9)16-13(14)17-12/h7,9-10,15H,2-6,8H2,1H3,(H2,14,16,17)/t10-/m1/s1
InChIKeyCEDPAKWFXHNETN-SNVBAGLBSA-N
MW247.35 g/mol
LogP1.12
Rot. Bonds3

About 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 53257796) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID53257796
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(C3CCC3)nc(N)n2)C1
InChIInChI=1S/C13H21N5/c1-15-10-5-6-18(8-10)12-7-11(9-3-2-4-9)16-13(14)17-12/h7,9-10,15H,2-6,8H2,1H3,(H2,14,16,17)/t10-/m1/s1
InChIKeyCEDPAKWFXHNETN-SNVBAGLBSA-N
XLogP1.12
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 53257796) is 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CN[C@@H]1CCN(c2cc(C3CCC3)nc(N)n2)C1.
What is the InChIKey of 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is CEDPAKWFXHNETN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N5/c1-15-10-5-6-18(8-10)12-7-11(9-3-2-4-9)16-13(14)17-12/h7,9-10,15H,2-6,8H2,1H3,(H2,14,16,17)/t10-/m1/s1.
What are the key properties of 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 247.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 53257796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).