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

C8H14N6O — CID 62917871

IUPAC1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol
SMILESNc1nc(N)nc(CN2CCC(O)C2)n1
InChIInChI=1S/C8H14N6O/c9-7-11-6(12-8(10)13-7)4-14-2-1-5(15)3-14/h5,15H,1-4H2,(H4,9,10,11,12,13)
InChIKeyLNJVQKWRUOVXPF-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.40
Rot. Bonds2

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

1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 62917871) has the molecular formula C8H14N6O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol
PubChem CID62917871
Molecular FormulaC8H14N6O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol
SMILESNc1nc(N)nc(CN2CCC(O)C2)n1
InChIInChI=1S/C8H14N6O/c9-7-11-6(12-8(10)13-7)4-14-2-1-5(15)3-14/h5,15H,1-4H2,(H4,9,10,11,12,13)
InChIKeyLNJVQKWRUOVXPF-UHFFFAOYSA-N
XLogP-1.40
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4S)-4-(dimethylamino)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 164633618
[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-3-ol
CID 60669690
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-ol
CID 60670253
2-[Butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol
CID 60689088
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-propylamino]ethanol
CID 60693697
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-butylamino]ethanol
CID 62015211
[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 62015316
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propylamino]ethanol
CID 62016012
1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]propan-2-ol
CID 62333227
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-methylamino]propan-2-ol
CID 62335057
[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372619

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol (CID 62917871) is 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol is Nc1nc(N)nc(CN2CCC(O)C2)n1.
What is the InChIKey of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is LNJVQKWRUOVXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O/c9-7-11-6(12-8(10)13-7)4-14-2-1-5(15)3-14/h5,15H,1-4H2,(H4,9,10,11,12,13).
What are the key properties of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol?
1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 210.24 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62917871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).