4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

C11H20N6 — CID 21363506

IUPAC4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(N)nc(NCC2CC2C)n1
InChIInChI=1S/C11H20N6/c1-6(2)14-11-16-9(12)15-10(17-11)13-5-8-4-7(8)3/h6-8H,4-5H2,1-3H3,(H4,12,13,14,15,16,17)
InChIKeyFRLQTVNUDLZKRN-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.34
Rot. Bonds5

About 4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 21363506) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID21363506
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(N)nc(NCC2CC2C)n1
InChIInChI=1S/C11H20N6/c1-6(2)14-11-16-9(12)15-10(17-11)13-5-8-4-7(8)3/h6-8H,4-5H2,1-3H3,(H4,12,13,14,15,16,17)
InChIKeyFRLQTVNUDLZKRN-UHFFFAOYSA-N
XLogP1.34
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (CID 21363506) is 4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is CC(C)Nc1nc(N)nc(NCC2CC2C)n1.
What is the InChIKey of 4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FRLQTVNUDLZKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-6(2)14-11-16-9(12)15-10(17-11)13-5-8-4-7(8)3/h6-8H,4-5H2,1-3H3,(H4,12,13,14,15,16,17).
What are the key properties of 4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 236.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylcyclopropyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 21363506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).