6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine

C18H20FN7O — CID 22540600

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
SMILESCc1cc(Nc2ncnc(N3CCN(c4ccccc4F)CC3)c2N)no1
InChIInChI=1S/C18H20FN7O/c1-12-10-15(24-27-12)23-17-16(20)18(22-11-21-17)26-8-6-25(7-9-26)14-5-3-2-4-13(14)19/h2-5,10-11H,6-9,20H2,1H3,(H,21,22,23,24)
InChIKeyQRQNCJPYBMZLSI-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.56
Rot. Bonds4

About 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine

6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine (PubChem CID 22540600) has the molecular formula C18H20FN7O and a molecular weight of 369.40 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
PubChem CID22540600
Molecular FormulaC18H20FN7O
Molecular Weight369.40 g/mol
Exact Mass369.17
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
SMILESCc1cc(Nc2ncnc(N3CCN(c4ccccc4F)CC3)c2N)no1
InChIInChI=1S/C18H20FN7O/c1-12-10-15(24-27-12)23-17-16(20)18(22-11-21-17)26-8-6-25(7-9-26)14-5-3-2-4-13(14)19/h2-5,10-11H,6-9,20H2,1H3,(H,21,22,23,24)
InChIKeyQRQNCJPYBMZLSI-UHFFFAOYSA-N
XLogP2.56
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine (CID 22540600) is 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine is Cc1cc(Nc2ncnc(N3CCN(c4ccccc4F)CC3)c2N)no1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
The InChIKey is QRQNCJPYBMZLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O/c1-12-10-15(24-27-12)23-17-16(20)18(22-11-21-17)26-8-6-25(7-9-26)14-5-3-2-4-13(14)19/h2-5,10-11H,6-9,20H2,1H3,(H,21,22,23,24).
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine?
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine has a molecular weight of 369.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22540600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).