6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine

C11H20N6 — CID 80791244

IUPAC6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCNc1cc(NCC2CCN(C)C2)nc(N)n1
InChIInChI=1S/C11H20N6/c1-13-9-5-10(16-11(12)15-9)14-6-8-3-4-17(2)7-8/h5,8H,3-4,6-7H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyDYYOWHDUVGWPFS-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.46
Rot. Bonds4

About 6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine

6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine (PubChem CID 80791244) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine
PubChem CID80791244
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCNc1cc(NCC2CCN(C)C2)nc(N)n1
InChIInChI=1S/C11H20N6/c1-13-9-5-10(16-11(12)15-9)14-6-8-3-4-17(2)7-8/h5,8H,3-4,6-7H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyDYYOWHDUVGWPFS-UHFFFAOYSA-N
XLogP0.46
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine (CID 80791244) is 6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine is CNc1cc(NCC2CCN(C)C2)nc(N)n1.
What is the InChIKey of 6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine?
The InChIKey is DYYOWHDUVGWPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-13-9-5-10(16-11(12)15-9)14-6-8-3-4-17(2)7-8/h5,8H,3-4,6-7H2,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine?
6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine has a molecular weight of 236.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80791244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).