N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide

C17H20ClN5O2 — CID 91780839

IUPACN-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide
SMILESNc1nc(NCCNC(=O)c2ccccc2Cl)cc(C2CC(O)C2)n1
InChIInChI=1S/C17H20ClN5O2/c18-13-4-2-1-3-12(13)16(25)21-6-5-20-15-9-14(22-17(19)23-15)10-7-11(24)8-10/h1-4,9-11,24H,5-8H2,(H,21,25)(H3,19,20,22,23)
InChIKeyILUKCBSTDDYPCS-UHFFFAOYSA-N
MW361.83 g/mol
LogP1.79
Rot. Bonds6

About N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide

N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide (PubChem CID 91780839) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide
PubChem CID91780839
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC NameN-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide
SMILESNc1nc(NCCNC(=O)c2ccccc2Cl)cc(C2CC(O)C2)n1
InChIInChI=1S/C17H20ClN5O2/c18-13-4-2-1-3-12(13)16(25)21-6-5-20-15-9-14(22-17(19)23-15)10-7-11(24)8-10/h1-4,9-11,24H,5-8H2,(H,21,25)(H3,19,20,22,23)
InChIKeyILUKCBSTDDYPCS-UHFFFAOYSA-N
XLogP1.79
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide 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

N-[2-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide;dihydrochloride
CID 154901701
3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91761176
3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91788557
N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 91786282
3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91793294
3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91784009
3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91777110
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 133313845
3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N-phenylpropanamide
CID 91791293
N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide
CID 91790847
3-[2-amino-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91781311

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide (CID 91780839) is N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide is Nc1nc(NCCNC(=O)c2ccccc2Cl)cc(C2CC(O)C2)n1.
What is the InChIKey of N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide?
The InChIKey is ILUKCBSTDDYPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c18-13-4-2-1-3-12(13)16(25)21-6-5-20-15-9-14(22-17(19)23-15)10-7-11(24)8-10/h1-4,9-11,24H,5-8H2,(H,21,25)(H3,19,20,22,23).
What are the key properties of N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide?
N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide has a molecular weight of 361.83 g/mol, XLogP of 1.79, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide is sourced from PubChem (CID 91780839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).