4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine

C13H22N6O — CID 80829114

IUPAC4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine
SMILESCNc1cc(N2CCC(N3CCOCC3)C2)nc(N)n1
InChIInChI=1S/C13H22N6O/c1-15-11-8-12(17-13(14)16-11)19-3-2-10(9-19)18-4-6-20-7-5-18/h8,10H,2-7,9H2,1H3,(H3,14,15,16,17)
InChIKeyLVYASYUJCLJHBL-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.01
Rot. Bonds3

About 4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine

4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine (PubChem CID 80829114) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine
PubChem CID80829114
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine
SMILESCNc1cc(N2CCC(N3CCOCC3)C2)nc(N)n1
InChIInChI=1S/C13H22N6O/c1-15-11-8-12(17-13(14)16-11)19-3-2-10(9-19)18-4-6-20-7-5-18/h8,10H,2-7,9H2,1H3,(H3,14,15,16,17)
InChIKeyLVYASYUJCLJHBL-UHFFFAOYSA-N
XLogP0.01
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine (CID 80829114) is 4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine is CNc1cc(N2CCC(N3CCOCC3)C2)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is LVYASYUJCLJHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-15-11-8-12(17-13(14)16-11)19-3-2-10(9-19)18-4-6-20-7-5-18/h8,10H,2-7,9H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine?
4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 278.36 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80829114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).