4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine

C13H25N5 — CID 172844737

IUPAC4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine
SMILESCC1(C)CC(CC2(N)C=CNC(N)=N2)C(C)(C)N1
InChIInChI=1S/C13H25N5/c1-11(2)7-9(12(3,4)18-11)8-13(15)5-6-16-10(14)17-13/h5-6,9,18H,7-8,15H2,1-4H3,(H3,14,16,17)
InChIKeyXGOBIANUKLXYOS-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.63
Rot. Bonds2

About 4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine

4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine (PubChem CID 172844737) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine
PubChem CID172844737
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine
SMILESCC1(C)CC(CC2(N)C=CNC(N)=N2)C(C)(C)N1
InChIInChI=1S/C13H25N5/c1-11(2)7-9(12(3,4)18-11)8-13(15)5-6-16-10(14)17-13/h5-6,9,18H,7-8,15H2,1-4H3,(H3,14,16,17)
InChIKeyXGOBIANUKLXYOS-UHFFFAOYSA-N
XLogP0.63
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine (CID 172844737) is 4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine is CC1(C)CC(CC2(N)C=CNC(N)=N2)C(C)(C)N1.
What is the InChIKey of 4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is XGOBIANUKLXYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-11(2)7-9(12(3,4)18-11)8-13(15)5-6-16-10(14)17-13/h5-6,9,18H,7-8,15H2,1-4H3,(H3,14,16,17).
What are the key properties of 4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine?
4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 251.38 g/mol, XLogP of 0.63, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 172844737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).