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

C13H23N5 — CID 42624150

IUPAC4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(C(C)(C)C)nc(N)n2)C1
InChIInChI=1S/C13H23N5/c1-13(2,3)10-7-11(17-12(14)16-10)18-6-5-9(8-18)15-4/h7,9,15H,5-6,8H2,1-4H3,(H2,14,16,17)/t9-/m1/s1
InChIKeyVMMSSXXGEPOROQ-SECBINFHSA-N
MW249.36 g/mol
LogP1.15
Rot. Bonds2

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

4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 42624150) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID42624150
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2cc(C(C)(C)C)nc(N)n2)C1
InChIInChI=1S/C13H23N5/c1-13(2,3)10-7-11(17-12(14)16-10)18-6-5-9(8-18)15-4/h7,9,15H,5-6,8H2,1-4H3,(H2,14,16,17)/t9-/m1/s1
InChIKeyVMMSSXXGEPOROQ-SECBINFHSA-N
XLogP1.15
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 42624150) is 4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CN[C@@H]1CCN(c2cc(C(C)(C)C)nc(N)n2)C1.
What is the InChIKey of 4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is VMMSSXXGEPOROQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H23N5/c1-13(2,3)10-7-11(17-12(14)16-10)18-6-5-9(8-18)15-4/h7,9,15H,5-6,8H2,1-4H3,(H2,14,16,17)/t9-/m1/s1.
What are the key properties of 4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 42624150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).