[1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol

C12H22N6O — CID 102789968

IUPAC[1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCNc1nc(N(C)C)nc(N2CCC(C)C2CO)n1
InChIInChI=1S/C12H22N6O/c1-8-5-6-18(9(8)7-19)12-15-10(13-2)14-11(16-12)17(3)4/h8-9,19H,5-7H2,1-4H3,(H,13,14,15,16)
InChIKeyQDRQFQVBALOLIR-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.19
Rot. Bonds4

About [1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol

[1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789968) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is [1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789968
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name[1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCNc1nc(N(C)C)nc(N2CCC(C)C2CO)n1
InChIInChI=1S/C12H22N6O/c1-8-5-6-18(9(8)7-19)12-15-10(13-2)14-11(16-12)17(3)4/h8-9,19H,5-7H2,1-4H3,(H,13,14,15,16)
InChIKeyQDRQFQVBALOLIR-UHFFFAOYSA-N
XLogP0.19
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol (CID 102789968) is [1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol is CNc1nc(N(C)C)nc(N2CCC(C)C2CO)n1.
What is the InChIKey of [1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is QDRQFQVBALOLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-8-5-6-18(9(8)7-19)12-15-10(13-2)14-11(16-12)17(3)4/h8-9,19H,5-7H2,1-4H3,(H,13,14,15,16).
What are the key properties of [1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol?
[1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 266.35 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).