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

C12H20N6O — CID 115457180

IUPAC[1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol
SMILESNc1nc(NCC2(CO)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C12H20N6O/c13-9-15-10(14-7-12(8-19)3-4-12)17-11(16-9)18-5-1-2-6-18/h19H,1-8H2,(H3,13,14,15,16,17)
InChIKeyYFDXXYHFFYUFMP-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.24
Rot. Bonds5

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

[1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol (PubChem CID 115457180) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is [1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol
PubChem CID115457180
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name[1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol
SMILESNc1nc(NCC2(CO)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C12H20N6O/c13-9-15-10(14-7-12(8-19)3-4-12)17-11(16-9)18-5-1-2-6-18/h19H,1-8H2,(H3,13,14,15,16,17)
InChIKeyYFDXXYHFFYUFMP-UHFFFAOYSA-N
XLogP0.24
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

2-[1-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114757195
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
[1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol
CID 112746327
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80841852
2-N-(2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769665
2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769992
6-(1,4-diazepan-1-yl)-2-N-[(1-methylcyclopropyl)methyl]-1,3,5-triazine-2,4-diamine
CID 156717764
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide
CID 80784562
2-N-(3-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784864
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide
CID 80783513
2-N-(2-methylsulfonylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80791674

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol (CID 115457180) is [1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol is Nc1nc(NCC2(CO)CC2)nc(N2CCCC2)n1.
What is the InChIKey of [1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol?
The InChIKey is YFDXXYHFFYUFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c13-9-15-10(14-7-12(8-19)3-4-12)17-11(16-9)18-5-1-2-6-18/h19H,1-8H2,(H3,13,14,15,16,17).
What are the key properties of [1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol?
[1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol has a molecular weight of 264.33 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115457180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).