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

C12H20N6O — CID 80810678

IUPAC2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol
SMILESNc1nc(N2CCCC2)nc(N(CCO)C2CC2)n1
InChIInChI=1S/C12H20N6O/c13-10-14-11(17-5-1-2-6-17)16-12(15-10)18(7-8-19)9-3-4-9/h9,19H,1-8H2,(H2,13,14,15,16)
InChIKeySUYVDBBVOWRBCV-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.02
Rot. Bonds5

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

2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol (PubChem CID 80810678) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol
PubChem CID80810678
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol
SMILESNc1nc(N2CCCC2)nc(N(CCO)C2CC2)n1
InChIInChI=1S/C12H20N6O/c13-10-14-11(17-5-1-2-6-17)16-12(15-10)18(7-8-19)9-3-4-9/h9,19H,1-8H2,(H2,13,14,15,16)
InChIKeySUYVDBBVOWRBCV-UHFFFAOYSA-N
XLogP0.02
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
CID 102865870
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80825594
2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
CID 102865890
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyclopropylamino]ethanol
CID 80811019
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol
CID 80787081
4-N-cyclopentyl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80775975
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclohexylamino]ethanol
CID 80811347
3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile
CID 62862736
4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 107403125
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80814113
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80838404

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol?
The IUPAC name of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol (CID 80810678) is 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol is Nc1nc(N2CCCC2)nc(N(CCO)C2CC2)n1.
What is the InChIKey of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol?
The InChIKey is SUYVDBBVOWRBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c13-10-14-11(17-5-1-2-6-17)16-12(15-10)18(7-8-19)9-3-4-9/h9,19H,1-8H2,(H2,13,14,15,16).
What are the key properties of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol?
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol has a molecular weight of 264.33 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol is sourced from PubChem (CID 80810678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).