4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C11H20N6 — CID 10988267

IUPAC4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)N(C)c1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C11H20N6/c1-8(2)16(3)10-13-9(12)14-11(15-10)17-6-4-5-7-17/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyXJRPOJNWVWICCT-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.90
Rot. Bonds3

About 4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 10988267) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID10988267
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)N(C)c1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C11H20N6/c1-8(2)16(3)10-13-9(12)14-11(15-10)17-6-4-5-7-17/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyXJRPOJNWVWICCT-UHFFFAOYSA-N
XLogP0.90
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 10988267) is 4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CC(C)N(C)c1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is XJRPOJNWVWICCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-8(2)16(3)10-13-9(12)14-11(15-10)17-6-4-5-7-17/h8H,4-7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10988267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).