4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine

C14H17FN4O2 — CID 82455299

IUPAC4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
SMILESCOCCOc1ncnc(NCc2ccccc2F)c1N
InChIInChI=1S/C14H17FN4O2/c1-20-6-7-21-14-12(16)13(18-9-19-14)17-8-10-4-2-3-5-11(10)15/h2-5,9H,6-8,16H2,1H3,(H,17,18,19)
InChIKeyQPZNYYDKOKNFSL-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.84
Rot. Bonds7

About 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine

4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine (PubChem CID 82455299) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
PubChem CID82455299
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
SMILESCOCCOc1ncnc(NCc2ccccc2F)c1N
InChIInChI=1S/C14H17FN4O2/c1-20-6-7-21-14-12(16)13(18-9-19-14)17-8-10-4-2-3-5-11(10)15/h2-5,9H,6-8,16H2,1H3,(H,17,18,19)
InChIKeyQPZNYYDKOKNFSL-UHFFFAOYSA-N
XLogP1.84
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455571
4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455310
6-(2-methoxyethoxy)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 82455287
N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine
CID 155799084
6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 66325604
4-N-[(2-chlorophenyl)methyl]-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19150506
6-(2-methoxyethoxy)-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 82455277
6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine
CID 82455281
6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455271
4-N-[(3-ethyl-2-pyridinyl)methyl]-6-propoxypyrimidine-4,5-diamine
CID 82733718
4-N-[3-(diethylamino)propyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455290
4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine
CID 64590253

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine (CID 82455299) is 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine is COCCOc1ncnc(NCc2ccccc2F)c1N.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine?
The InChIKey is QPZNYYDKOKNFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-20-6-7-21-14-12(16)13(18-9-19-14)17-8-10-4-2-3-5-11(10)15/h2-5,9H,6-8,16H2,1H3,(H,17,18,19).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine?
4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine has a molecular weight of 292.31 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).