1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol

C13H22ClN5O2 — CID 106257269

IUPAC1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C13H22ClN5O2/c1-13(20,5-8-21-2)9-15-11-16-10(14)17-12(18-11)19-6-3-4-7-19/h20H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeySZGRRECRUOHJHV-UHFFFAOYSA-N
MW315.81 g/mol
LogP1.32
Rot. Bonds7

About 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol

1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106257269) has the molecular formula C13H22ClN5O2 and a molecular weight of 315.81 g/mol. Its IUPAC name is 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106257269
Molecular FormulaC13H22ClN5O2
Molecular Weight315.81 g/mol
Exact Mass315.15
IUPAC Name1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C13H22ClN5O2/c1-13(20,5-8-21-2)9-15-11-16-10(14)17-12(18-11)19-6-3-4-7-19/h20H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeySZGRRECRUOHJHV-UHFFFAOYSA-N
XLogP1.32
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol 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)amino]methyl]-2-ethylbutan-1-ol
CID 106257393
1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 114165069
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869546
4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106197165
4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62868206
2-methyl-1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80842795
4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106197256
2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864714
4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106196907
2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80833190
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
N-but-2-ynyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 114156794

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol (CID 106257269) is 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is SZGRRECRUOHJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O2/c1-13(20,5-8-21-2)9-15-11-16-10(14)17-12(18-11)19-6-3-4-7-19/h20H,3-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 315.81 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106257269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).