2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine

C14H17FN4O — CID 71031737

IUPAC2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCOc1cc(NC(C)C)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4O/c1-9(2)16-12-8-13(20-3)19-14(18-12)17-11-6-4-10(15)5-7-11/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyQMFQEYHWWSOQKN-UHFFFAOYSA-N
MW276.32 g/mol
LogP3.19
Rot. Bonds5

About 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 71031737) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID71031737
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCOc1cc(NC(C)C)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN4O/c1-9(2)16-12-8-13(20-3)19-14(18-12)17-11-6-4-10(15)5-7-11/h4-9H,1-3H3,(H2,16,17,18,19)
InChIKeyQMFQEYHWWSOQKN-UHFFFAOYSA-N
XLogP3.19
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 71031737) is 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine is COc1cc(NC(C)C)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is QMFQEYHWWSOQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-9(2)16-12-8-13(20-3)19-14(18-12)17-11-6-4-10(15)5-7-11/h4-9H,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 276.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-6-methoxy-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 71031737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).