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

C10H18N6O — CID 113241423

IUPAC2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESNc1nc(N)nc(CN2CCC(CCO)C2)n1
InChIInChI=1S/C10H18N6O/c11-9-13-8(14-10(12)15-9)6-16-3-1-7(5-16)2-4-17/h7,17H,1-6H2,(H4,11,12,13,14,15)
InChIKeyNTBNDAZVBGRSNF-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.76
Rot. Bonds4

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

2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 113241423) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID113241423
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESNc1nc(N)nc(CN2CCC(CCO)C2)n1
InChIInChI=1S/C10H18N6O/c11-9-13-8(14-10(12)15-9)6-16-3-1-7(5-16)2-4-17/h7,17H,1-6H2,(H4,11,12,13,14,15)
InChIKeyNTBNDAZVBGRSNF-UHFFFAOYSA-N
XLogP-0.76
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(4-aminoquinazolin-2-yl)methyl]piperidin-3-yl]ethanol
CID 62358015
2-[1-[(4-amino-2-pyridinyl)methyl]pyrrolidin-3-yl]ethanol
CID 114799922
6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 130685335
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
2-[1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115647828
6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 104977266
6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 63596408
2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107167021
2-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-3-yl]ethanol
CID 107228739
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006
2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648060
2-[1-[[4-amino-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 114797152

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol (CID 113241423) is 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol is Nc1nc(N)nc(CN2CCC(CCO)C2)n1.
What is the InChIKey of 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is NTBNDAZVBGRSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c11-9-13-8(14-10(12)15-9)6-16-3-1-7(5-16)2-4-17/h7,17H,1-6H2,(H4,11,12,13,14,15).
What are the key properties of 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol?
2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 238.29 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 113241423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).