2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine

C13H22N4 — CID 80967534

IUPAC2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCC1CCCN1c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22N4/c1-9-6-5-7-17(9)11-8-10(14)15-12(16-11)13(2,3)4/h8-9H,5-7H2,1-4H3,(H2,14,15,16)
InChIKeyNOFCOEKOJSJQKU-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.35
Rot. Bonds1

About 2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine

2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine (PubChem CID 80967534) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
PubChem CID80967534
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
SMILESCC1CCCN1c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22N4/c1-9-6-5-7-17(9)11-8-10(14)15-12(16-11)13(2,3)4/h8-9H,5-7H2,1-4H3,(H2,14,15,16)
InChIKeyNOFCOEKOJSJQKU-UHFFFAOYSA-N
XLogP2.35
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine (CID 80967534) is 2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine is CC1CCCN1c1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine?
The InChIKey is NOFCOEKOJSJQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-6-5-7-17(9)11-8-10(14)15-12(16-11)13(2,3)4/h8-9H,5-7H2,1-4H3,(H2,14,15,16).
What are the key properties of 2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine?
2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80967534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).