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

C11H20N6O — CID 62467981

IUPAC3-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESNc1nc(N)nc(CN2CCCC2CCCO)n1
InChIInChI=1S/C11H20N6O/c12-10-14-9(15-11(13)16-10)7-17-5-1-3-8(17)4-2-6-18/h8,18H,1-7H2,(H4,12,13,14,15,16)
InChIKeySZNHICXURVORKI-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.23
Rot. Bonds5

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

3-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467981) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62467981
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name3-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESNc1nc(N)nc(CN2CCCC2CCCO)n1
InChIInChI=1S/C11H20N6O/c12-10-14-9(15-11(13)16-10)7-17-5-1-3-8(17)4-2-6-18/h8,18H,1-7H2,(H4,12,13,14,15,16)
InChIKeySZNHICXURVORKI-UHFFFAOYSA-N
XLogP-0.23
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 62467981) is 3-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol is Nc1nc(N)nc(CN2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is SZNHICXURVORKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c12-10-14-9(15-11(13)16-10)7-17-5-1-3-8(17)4-2-6-18/h8,18H,1-7H2,(H4,12,13,14,15,16).
What are the key properties of 3-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 252.32 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).