4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine

C12H21N5 — CID 58227157

IUPAC4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NC(C)C)n2)C1
InChIInChI=1S/C12H21N5/c1-9(2)15-12-14-6-4-11(16-12)17-7-5-10(8-17)13-3/h4,6,9-10,13H,5,7-8H2,1-3H3,(H,14,15,16)/t10-/m1/s1
InChIKeyPCWWILBQNYWVFM-SNVBAGLBSA-N
MW235.34 g/mol
LogP1.10
Rot. Bonds4

About 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 58227157) has the molecular formula C12H21N5 and a molecular weight of 235.34 g/mol. Its IUPAC name is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID58227157
Molecular FormulaC12H21N5
Molecular Weight235.34 g/mol
Exact Mass235.18
IUPAC Name4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NC(C)C)n2)C1
InChIInChI=1S/C12H21N5/c1-9(2)15-12-14-6-4-11(16-12)17-7-5-10(8-17)13-3/h4,6,9-10,13H,5,7-8H2,1-3H3,(H,14,15,16)/t10-/m1/s1
InChIKeyPCWWILBQNYWVFM-SNVBAGLBSA-N
XLogP1.10
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine (CID 58227157) is 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine is CN[C@@H]1CCN(c2ccnc(NC(C)C)n2)C1.
What is the InChIKey of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is PCWWILBQNYWVFM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N5/c1-9(2)15-12-14-6-4-11(16-12)17-7-5-10(8-17)13-3/h4,6,9-10,13H,5,7-8H2,1-3H3,(H,14,15,16)/t10-/m1/s1.
What are the key properties of 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine?
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 235.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 58227157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).