(3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine

C9H15N5O2 — CID 94882319

IUPAC(3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine
SMILESCOc1nc(OC)nc(N2CC[C@H](N)C2)n1
InChIInChI=1S/C9H15N5O2/c1-15-8-11-7(12-9(13-8)16-2)14-4-3-6(10)5-14/h6H,3-5,10H2,1-2H3/t6-/m0/s1
InChIKeyGKZSNYXCCAEGRX-LURJTMIESA-N
MW225.25 g/mol
LogP-0.57
Rot. Bonds3

About (3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine

(3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine (PubChem CID 94882319) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine
PubChem CID94882319
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name(3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine
SMILESCOc1nc(OC)nc(N2CC[C@H](N)C2)n1
InChIInChI=1S/C9H15N5O2/c1-15-8-11-7(12-9(13-8)16-2)14-4-3-6(10)5-14/h6H,3-5,10H2,1-2H3/t6-/m0/s1
InChIKeyGKZSNYXCCAEGRX-LURJTMIESA-N
XLogP-0.57
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine
CID 62862480
2-N-(2-fluoro-2-methylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156717725
(s)-4,6-dimethoxy-N-(pyrrolidin-3-yl)-1,3,5-triazin-2-amine
CID 94882322
(s)-1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine hydrogen chloride
CID 129850520
4-Chloro-6-[3-(dimethylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 80831604
2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine
CID 123291458
2-N-[(3R)-pyrrolidin-3-yl]-1,3,5-triazine-2,4,6-triamine
CID 140643340
4-N-methyl-2-N-pyrrolidin-3-yl-1,3,5-triazine-2,4,6-triamine
CID 141335797
2-N-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156220325
2-N-(2,2-dimethylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156220329
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[(3-methyloxetan-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 156220341
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156220342

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine (CID 94882319) is (3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine is COc1nc(OC)nc(N2CC[C@H](N)C2)n1.
What is the InChIKey of (3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine?
The InChIKey is GKZSNYXCCAEGRX-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N5O2/c1-15-8-11-7(12-9(13-8)16-2)14-4-3-6(10)5-14/h6H,3-5,10H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine?
(3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine has a molecular weight of 225.25 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 94882319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).