6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine

C13H23N5 — CID 66740280

IUPAC6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
SMILESCN1CCC(Nc2cc(C(C)(C)C)nc(N)n2)C1
InChIInChI=1S/C13H23N5/c1-13(2,3)10-7-11(17-12(14)16-10)15-9-5-6-18(4)8-9/h7,9H,5-6,8H2,1-4H3,(H3,14,15,16,17)
InChIKeyMCVLKPUQUCGNFF-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.47
Rot. Bonds2

About 6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine

6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine (PubChem CID 66740280) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
PubChem CID66740280
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
SMILESCN1CCC(Nc2cc(C(C)(C)C)nc(N)n2)C1
InChIInChI=1S/C13H23N5/c1-13(2,3)10-7-11(17-12(14)16-10)15-9-5-6-18(4)8-9/h7,9H,5-6,8H2,1-4H3,(H3,14,15,16,17)
InChIKeyMCVLKPUQUCGNFF-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine (CID 66740280) is 6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine is CN1CCC(Nc2cc(C(C)(C)C)nc(N)n2)C1.
What is the InChIKey of 6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
The InChIKey is MCVLKPUQUCGNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-13(2,3)10-7-11(17-12(14)16-10)15-9-5-6-18(4)8-9/h7,9H,5-6,8H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66740280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).