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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Related Compounds

Jnj-39758979
CID 24994634
4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 24797604
4-Cyclopentyl-6-(piperazin-1-yl)-pyrimidin-2-ylamine
CID 24798144
4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-cyclopentylpyrimidin-2-amine
CID 24798232
4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994542
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777258
4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777338
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
4-(1-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 66740859
4-Amino-6-(tert-butyl)pyrimidine
CID 713744
4-t-Butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine
CID 24797775

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).