N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide

C17H22FN5O — CID 122324645

IUPACN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide
SMILESCCNc1cc(C)nc(NCCNC(=O)c2ccc(C)c(F)c2)n1
InChIInChI=1S/C17H22FN5O/c1-4-19-15-9-12(3)22-17(23-15)21-8-7-20-16(24)13-6-5-11(2)14(18)10-13/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,24)(H2,19,21,22,23)
InChIKeyMANBECSFIPRPBD-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.51
Rot. Bonds7

About N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide

N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide (PubChem CID 122324645) has the molecular formula C17H22FN5O and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide
PubChem CID122324645
Molecular FormulaC17H22FN5O
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC NameN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide
SMILESCCNc1cc(C)nc(NCCNC(=O)c2ccc(C)c(F)c2)n1
InChIInChI=1S/C17H22FN5O/c1-4-19-15-9-12(3)22-17(23-15)21-8-7-20-16(24)13-6-5-11(2)14(18)10-13/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,24)(H2,19,21,22,23)
InChIKeyMANBECSFIPRPBD-UHFFFAOYSA-N
XLogP2.51
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide 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-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-fluorobenzamide
CID 56699080
4-ethyl-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 70703936
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3,4-dimethoxybenzamide
CID 70702932
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 122324634
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide
CID 122324631
4-acetyl-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 122325518
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122324641
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 122324616
4-bromo-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzamide
CID 122325605
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,4-difluorobenzamide
CID 122293306
1-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(2-fluorophenyl)urea
CID 56700174
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]furan-2-carboxamide
CID 122324472

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide (CID 122324645) is N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide is CCNc1cc(C)nc(NCCNC(=O)c2ccc(C)c(F)c2)n1.
What is the InChIKey of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide?
The InChIKey is MANBECSFIPRPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-4-19-15-9-12(3)22-17(23-15)21-8-7-20-16(24)13-6-5-11(2)14(18)10-13/h5-6,9-10H,4,7-8H2,1-3H3,(H,20,24)(H2,19,21,22,23).
What are the key properties of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide?
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide has a molecular weight of 331.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 122324645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).