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

C10H16ClN5O — CID 55124109

IUPAC2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol
SMILESCN(CCO)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C10H16ClN5O/c1-15(6-7-17)9-12-8(11)13-10(14-9)16-4-2-3-5-16/h17H,2-7H2,1H3
InChIKeySYYUVJQJJGBGHQ-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.55
Rot. Bonds4

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

2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol (PubChem CID 55124109) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol
PubChem CID55124109
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol
SMILESCN(CCO)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C10H16ClN5O/c1-15(6-7-17)9-12-8(11)13-10(14-9)16-4-2-3-5-16/h17H,2-7H2,1H3
InChIKeySYYUVJQJJGBGHQ-UHFFFAOYSA-N
XLogP0.55
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
CID 102865870
4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62864587
2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
CID 102865890
4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
4-chloro-N-(cyclobutylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62865237
N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869660
4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62868341
1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol
CID 62863261
4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 63690083
1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79378246
4-chloro-6-(4,4-diethylpiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 63161811
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80814113

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol?
The IUPAC name of 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol (CID 55124109) is 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol is CN(CCO)c1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol?
The InChIKey is SYYUVJQJJGBGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O/c1-15(6-7-17)9-12-8(11)13-10(14-9)16-4-2-3-5-16/h17H,2-7H2,1H3.
What are the key properties of 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol?
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol has a molecular weight of 257.72 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol is sourced from PubChem (CID 55124109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).