1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol

C10H18N6O — CID 112628317

IUPAC1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2nc(N)nc(N)n2)C1
InChIInChI=1S/C10H18N6O/c1-6(17)7-2-3-16(4-7)5-8-13-9(11)15-10(12)14-8/h6-7,17H,2-5H2,1H3,(H4,11,12,13,14,15)
InChIKeyJVXMNYPJHBTUHI-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.76
Rot. Bonds3

About 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol

1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 112628317) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID112628317
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2nc(N)nc(N)n2)C1
InChIInChI=1S/C10H18N6O/c1-6(17)7-2-3-16(4-7)5-8-13-9(11)15-10(12)14-8/h6-7,17H,2-5H2,1H3,(H4,11,12,13,14,15)
InChIKeyJVXMNYPJHBTUHI-UHFFFAOYSA-N
XLogP-0.76
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol with MolForge

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Related Compounds

1-[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol
CID 56787472
6-[[ethyl(oxolan-3-ylmethyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 71859909
[1-[[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol
CID 136514582
[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 55064655
[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]methanol
CID 60968067
[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]methanol
CID 62021578
2-[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-3-yl]ethanol
CID 62357851
[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372619
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol
CID 62917871
1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol
CID 62918364
(3S)-1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol
CID 64196042
(3S)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol
CID 64196211

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol (CID 112628317) is 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(Cc2nc(N)nc(N)n2)C1.
What is the InChIKey of 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is JVXMNYPJHBTUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-6(17)7-2-3-16(4-7)5-8-13-9(11)15-10(12)14-8/h6-7,17H,2-5H2,1H3,(H4,11,12,13,14,15).
What are the key properties of 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol?
1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 238.29 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112628317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).