4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine

C10H17N5O — CID 80854590

IUPAC4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(N2CCC(C)(C)C2)n1
InChIInChI=1S/C10H17N5O/c1-10(2)4-5-15(6-10)8-12-7(11)13-9(14-8)16-3/h4-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyKPMJIOZGZSGJFA-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.70
Rot. Bonds2

About 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine

4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80854590) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80854590
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(N2CCC(C)(C)C2)n1
InChIInChI=1S/C10H17N5O/c1-10(2)4-5-15(6-10)8-12-7(11)13-9(14-8)16-3/h4-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyKPMJIOZGZSGJFA-UHFFFAOYSA-N
XLogP0.70
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine (CID 80854590) is 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(N2CCC(C)(C)C2)n1.
What is the InChIKey of 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is KPMJIOZGZSGJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-10(2)4-5-15(6-10)8-12-7(11)13-9(14-8)16-3/h4-6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine?
4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 223.28 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80854590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).