N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide

C17H22FN5O — CID 122324634

IUPACN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide
SMILESCCNc1cc(C)nc(NCCNC(=O)Cc2ccccc2F)n1
InChIInChI=1S/C17H22FN5O/c1-3-19-15-10-12(2)22-17(23-15)21-9-8-20-16(24)11-13-6-4-5-7-14(13)18/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,24)(H2,19,21,22,23)
InChIKeyRFSQAKUUGMQNKM-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.13
Rot. Bonds8

About N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide

N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 122324634) 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]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide
PubChem CID122324634
Molecular FormulaC17H22FN5O
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC NameN-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide
SMILESCCNc1cc(C)nc(NCCNC(=O)Cc2ccccc2F)n1
InChIInChI=1S/C17H22FN5O/c1-3-19-15-10-12(2)22-17(23-15)21-9-8-20-16(24)11-13-6-4-5-7-14(13)18/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,24)(H2,19,21,22,23)
InChIKeyRFSQAKUUGMQNKM-UHFFFAOYSA-N
XLogP2.13
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 122295436
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]-3-fluoro-4-methylbenzamide
CID 122324645
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-fluorobenzamide
CID 56699080
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide
CID 122324495
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]furan-2-carboxamide
CID 122324472
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 122324616
4-ethyl-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 70703936
4-N-[(2-fluorophenyl)methyl]-2-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 112911522
(E)-N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-phenylprop-2-enamide
CID 122324470
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-(trifluoromethoxy)benzamide
CID 122324631
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122324623

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide (CID 122324634) is N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide is CCNc1cc(C)nc(NCCNC(=O)Cc2ccccc2F)n1.
What is the InChIKey of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is RFSQAKUUGMQNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-3-19-15-10-12(2)22-17(23-15)21-9-8-20-16(24)11-13-6-4-5-7-14(13)18/h4-7,10H,3,8-9,11H2,1-2H3,(H,20,24)(H2,19,21,22,23).
What are the key properties of N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide?
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 2.13, 8 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]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 122324634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).