2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine

C11H19N5 — CID 107425646

IUPAC2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NC2(C)CCNC2)n1
InChIInChI=1S/C11H19N5/c1-11(5-7-12-8-11)15-9-4-6-13-10(14-9)16(2)3/h4,6,12H,5,7-8H2,1-3H3,(H,13,14,15)
InChIKeyGLWVUHYCDWVUEU-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.71
Rot. Bonds3

About 2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine (PubChem CID 107425646) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
PubChem CID107425646
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NC2(C)CCNC2)n1
InChIInChI=1S/C11H19N5/c1-11(5-7-12-8-11)15-9-4-6-13-10(14-9)16(2)3/h4,6,12H,5,7-8H2,1-3H3,(H,13,14,15)
InChIKeyGLWVUHYCDWVUEU-UHFFFAOYSA-N
XLogP0.71
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine (CID 107425646) is 2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine is CN(C)c1nccc(NC2(C)CCNC2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
The InChIKey is GLWVUHYCDWVUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-11(5-7-12-8-11)15-9-4-6-13-10(14-9)16(2)3/h4,6,12H,5,7-8H2,1-3H3,(H,13,14,15).
What are the key properties of 2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(3-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 107425646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).