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

C9H16N6O — CID 62015316

IUPAC[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESNc1nc(N)nc(CN2CCCC2CO)n1
InChIInChI=1S/C9H16N6O/c10-8-12-7(13-9(11)14-8)4-15-3-1-2-6(15)5-16/h6,16H,1-5H2,(H4,10,11,12,13,14)
InChIKeyPQWHBAVSPLXJHU-UHFFFAOYSA-N
MW224.27 g/mol
LogP-1.01
Rot. Bonds3

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

[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 62015316) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID62015316
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESNc1nc(N)nc(CN2CCCC2CO)n1
InChIInChI=1S/C9H16N6O/c10-8-12-7(13-9(11)14-8)4-15-3-1-2-6(15)5-16/h6,16H,1-5H2,(H4,10,11,12,13,14)
InChIKeyPQWHBAVSPLXJHU-UHFFFAOYSA-N
XLogP-1.01
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]methanol (CID 62015316) is [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]methanol is Nc1nc(N)nc(CN2CCCC2CO)n1.
What is the InChIKey of [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is PQWHBAVSPLXJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c10-8-12-7(13-9(11)14-8)4-15-3-1-2-6(15)5-16/h6,16H,1-5H2,(H4,10,11,12,13,14).
What are the key properties of [1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]methanol?
[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 224.27 g/mol, XLogP of -1.01, 3 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-2-yl]methanol is sourced from PubChem (CID 62015316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).