6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine

C9H16N6O — CID 21057729

IUPAC6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCOC[C@@H]1CCCN1c1nc(N)nc(N)n1
InChIInChI=1S/C9H16N6O/c1-16-5-6-3-2-4-15(6)9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3,(H4,10,11,12,13,14)/t6-/m0/s1
InChIKeyRBARMFFLKVZCMW-LURJTMIESA-N
MW224.27 g/mol
LogP-0.35
Rot. Bonds3

About 6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine

6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 21057729) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID21057729
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCOC[C@@H]1CCCN1c1nc(N)nc(N)n1
InChIInChI=1S/C9H16N6O/c1-16-5-6-3-2-4-15(6)9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3,(H4,10,11,12,13,14)/t6-/m0/s1
InChIKeyRBARMFFLKVZCMW-LURJTMIESA-N
XLogP-0.35
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine (CID 21057729) is 6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine is COC[C@@H]1CCCN1c1nc(N)nc(N)n1.
What is the InChIKey of 6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RBARMFFLKVZCMW-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N6O/c1-16-5-6-3-2-4-15(6)9-13-7(10)12-8(11)14-9/h6H,2-5H2,1H3,(H4,10,11,12,13,14)/t6-/m0/s1.
What are the key properties of 6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 224.27 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21057729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).