6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine

C13H24N6 — CID 115266358

IUPAC6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
SMILESCc1nc(NCC(C)N)cc(NC2CCN(C)C2)n1
InChIInChI=1S/C13H24N6/c1-9(14)7-15-12-6-13(17-10(2)16-12)18-11-4-5-19(3)8-11/h6,9,11H,4-5,7-8,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyHWJUNYBJNANQQG-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.66
Rot. Bonds5

About 6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine

6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine (PubChem CID 115266358) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
PubChem CID115266358
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
SMILESCc1nc(NCC(C)N)cc(NC2CCN(C)C2)n1
InChIInChI=1S/C13H24N6/c1-9(14)7-15-12-6-13(17-10(2)16-12)18-11-4-5-19(3)8-11/h6,9,11H,4-5,7-8,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyHWJUNYBJNANQQG-UHFFFAOYSA-N
XLogP0.66
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine (CID 115266358) is 6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine is Cc1nc(NCC(C)N)cc(NC2CCN(C)C2)n1.
What is the InChIKey of 6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine?
The InChIKey is HWJUNYBJNANQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-9(14)7-15-12-6-13(17-10(2)16-12)18-11-4-5-19(3)8-11/h6,9,11H,4-5,7-8,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine?
6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine has a molecular weight of 264.38 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-aminopropyl)-2-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115266358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).