[1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine

C13H22N4 — CID 103279190

IUPAC[1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
SMILESCC(C)(C)c1cnc(N2CCCC2CN)nc1
InChIInChI=1S/C13H22N4/c1-13(2,3)10-8-15-12(16-9-10)17-6-4-5-11(17)7-14/h8-9,11H,4-7,14H2,1-3H3
InChIKeyMWJAJFNHBCBVJU-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.70
Rot. Bonds2

About [1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine

[1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine (PubChem CID 103279190) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
PubChem CID103279190
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
SMILESCC(C)(C)c1cnc(N2CCCC2CN)nc1
InChIInChI=1S/C13H22N4/c1-13(2,3)10-8-15-12(16-9-10)17-6-4-5-11(17)7-14/h8-9,11H,4-7,14H2,1-3H3
InChIKeyMWJAJFNHBCBVJU-UHFFFAOYSA-N
XLogP1.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine (CID 103279190) is [1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine is CC(C)(C)c1cnc(N2CCCC2CN)nc1.
What is the InChIKey of [1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is MWJAJFNHBCBVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-13(2,3)10-8-15-12(16-9-10)17-6-4-5-11(17)7-14/h8-9,11H,4-7,14H2,1-3H3.
What are the key properties of [1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine?
[1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 103279190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).